potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid

C182H165F3KN13O37 — CID 172920655

IUPACpotassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCO/N=C(/COc1ccc(COc2ccc(-c3c(C(=O)O)noc3C)cc2)cc1)c1ccccc1.CO/N=C(/COc1ccc(COc2ccc(COCC(=O)O)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1ccc(C#N)cc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1ccc(F)cc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1cccc(F)c1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)[O-])cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)O)c(F)c2)cc1)c1ccccc1.[K+]
InChIInChI=1S/C27H23N3O5.C27H24N2O6.2C26H23FN2O5.C26H24N2O5.C25H24FNO5.C25H25NO6.K/c1-33-30-26(22-6-2-19(15-28)3-7-22)18-35-24-10-4-20(5-11-24)17-34-25-12-8-21(9-13-25)23(16-29)14-27(31)32;1-18-25(26(27(30)31)29-35-18)21-10-14-23(15-11-21)33-16-19-8-12-22(13-9-19)34-17-24(28-32-2)20-6-4-3-5-7-20;1-32-29-25(20-4-8-22(27)9-5-20)17-34-23-10-2-18(3-11-23)16-33-24-12-6-19(7-13-24)21(15-28)14-26(30)31;1-32-29-25(20-3-2-4-22(27)13-20)17-34-23-9-5-18(6-10-23)16-33-24-11-7-19(8-12-24)21(15-28)14-26(30)31;1-31-28-25(21-5-3-2-4-6-21)18-33-23-11-7-19(8-12-23)17-32-24-13-9-20(10-14-24)22(16-27)15-26(29)30;1-30-27-24(20-5-3-2-4-6-20)17-32-21-11-7-18(8-12-21)16-31-22-13-9-19(23(26)15-22)10-14-25(28)29;1-29-26-24(21-5-3-2-4-6-21)17-32-23-13-9-20(10-14-23)16-31-22-11-7-19(8-12-22)15-30-18-25(27)28;/h2-13,23H,14,17-18H2,1H3,(H,31,32);3-15H,16-17H2,1-2H3,(H,30,31);2*2-13,21H,14,16-17H2,1H3,(H,30,31);2-14,22H,15,17-18H2,1H3,(H,29,30);2-9,11-13,15H,10,14,16-17H2,1H3,(H,28,29);2-14H,15-18H2,1H3,(H,27,28);/q;;;;;;;+1/p-1/b30-26+;28-24-;2*29-25+;28-25+;27-24+;26-24-;
InChIKeyRZMDGFLMAFPINF-ZVAOSCGSSA-M
MW3222.47 g/mol
LogP29.43
Rot. Bonds77

About potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid

potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 172920655) has the molecular formula C182H165F3KN13O37 and a molecular weight of 3222.47 g/mol. Its IUPAC name is potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Namepotassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID172920655
Molecular FormulaC182H165F3KN13O37
Molecular Weight3222.47 g/mol
Exact Mass3220.10
IUPAC Namepotassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCO/N=C(/COc1ccc(COc2ccc(-c3c(C(=O)O)noc3C)cc2)cc1)c1ccccc1.CO/N=C(/COc1ccc(COc2ccc(COCC(=O)O)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1ccc(C#N)cc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1ccc(F)cc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1cccc(F)c1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)[O-])cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)O)c(F)c2)cc1)c1ccccc1.[K+]
InChIInChI=1S/C27H23N3O5.C27H24N2O6.2C26H23FN2O5.C26H24N2O5.C25H24FNO5.C25H25NO6.K/c1-33-30-26(22-6-2-19(15-28)3-7-22)18-35-24-10-4-20(5-11-24)17-34-25-12-8-21(9-13-25)23(16-29)14-27(31)32;1-18-25(26(27(30)31)29-35-18)21-10-14-23(15-11-21)33-16-19-8-12-22(13-9-19)34-17-24(28-32-2)20-6-4-3-5-7-20;1-32-29-25(20-4-8-22(27)9-5-20)17-34-23-10-2-18(3-11-23)16-33-24-12-6-19(7-13-24)21(15-28)14-26(30)31;1-32-29-25(20-3-2-4-22(27)13-20)17-34-23-9-5-18(6-10-23)16-33-24-11-7-19(8-12-24)21(15-28)14-26(30)31;1-31-28-25(21-5-3-2-4-6-21)18-33-23-11-7-19(8-12-23)17-32-24-13-9-20(10-14-24)22(16-27)15-26(29)30;1-30-27-24(20-5-3-2-4-6-20)17-32-21-11-7-18(8-12-21)16-31-22-13-9-19(23(26)15-22)10-14-25(28)29;1-29-26-24(21-5-3-2-4-6-21)17-32-23-13-9-20(10-14-23)16-31-22-11-7-19(8-12-22)15-30-18-25(27)28;/h2-13,23H,14,17-18H2,1H3,(H,31,32);3-15H,16-17H2,1-2H3,(H,30,31);2*2-13,21H,14,16-17H2,1H3,(H,30,31);2-14,22H,15,17-18H2,1H3,(H,29,30);2-9,11-13,15H,10,14,16-17H2,1H3,(H,28,29);2-14H,15-18H2,1H3,(H,27,28);/q;;;;;;;+1/p-1/b30-26+;28-24-;2*29-25+;28-25+;27-24+;26-24-;
InChIKeyRZMDGFLMAFPINF-ZVAOSCGSSA-M
XLogP29.43
TPSA698.49 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds77
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003222.47
LogP ≤ 529.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640072
4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 56640140
sodium 3-cyano-3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 56640355
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
sodium 3-cyano-3-[4-[[3-fluoro-4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 56640351
3-[2-cyano-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640209
3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2-methylphenyl]propanoic acid
CID 87111511
3-cyano-3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2-methylphenyl]propanoic acid
CID 86695752
3-[2-(cyanomethoxy)-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640643
methyl 3-cyano-3-[4-[[3-fluoro-4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]propanoate
CID 123349543
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-phenylpropanoic acid
CID 56639772
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]butanoic acid
CID 88581379

Frequently Asked Questions

What is the IUPAC name of potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid (CID 172920655) is potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid is CO/N=C(/COc1ccc(COc2ccc(-c3c(C(=O)O)noc3C)cc2)cc1)c1ccccc1.CO/N=C(/COc1ccc(COc2ccc(COCC(=O)O)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1ccc(C#N)cc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1ccc(F)cc1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)O)cc2)cc1)c1cccc(F)c1.CO/N=C(\COc1ccc(COc2ccc(C(C#N)CC(=O)[O-])cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)O)c(F)c2)cc1)c1ccccc1.[K+].
What is the InChIKey of potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is RZMDGFLMAFPINF-ZVAOSCGSSA-M. The full InChI is InChI=1S/C27H23N3O5.C27H24N2O6.2C26H23FN2O5.C26H24N2O5.C25H24FNO5.C25H25NO6.K/c1-33-30-26(22-6-2-19(15-28)3-7-22)18-35-24-10-4-20(5-11-24)17-34-25-12-8-21(9-13-25)23(16-29)14-27(31)32;1-18-25(26(27(30)31)29-35-18)21-10-14-23(15-11-21)33-16-19-8-12-22(13-9-19)34-17-24(28-32-2)20-6-4-3-5-7-20;1-32-29-25(20-4-8-22(27)9-5-20)17-34-23-10-2-18(3-11-23)16-33-24-12-6-19(7-13-24)21(15-28)14-26(30)31;1-32-29-25(20-3-2-4-22(27)13-20)17-34-23-9-5-18(6-10-23)16-33-24-11-7-19(8-12-24)21(15-28)14-26(30)31;1-31-28-25(21-5-3-2-4-6-21)18-33-23-11-7-19(8-12-23)17-32-24-13-9-20(10-14-24)22(16-27)15-26(29)30;1-30-27-24(20-5-3-2-4-6-20)17-32-21-11-7-18(8-12-21)16-31-22-13-9-19(23(26)15-22)10-14-25(28)29;1-29-26-24(21-5-3-2-4-6-21)17-32-23-13-9-20(10-14-23)16-31-22-11-7-19(8-12-22)15-30-18-25(27)28;/h2-13,23H,14,17-18H2,1H3,(H,31,32);3-15H,16-17H2,1-2H3,(H,30,31);2*2-13,21H,14,16-17H2,1H3,(H,30,31);2-14,22H,15,17-18H2,1H3,(H,29,30);2-9,11-13,15H,10,14,16-17H2,1H3,(H,28,29);2-14H,15-18H2,1H3,(H,27,28);/q;;;;;;;+1/p-1/b30-26+;28-24-;2*29-25+;28-25+;27-24+;26-24-;.
What are the key properties of potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 3222.47 g/mol, XLogP of 29.43, 77 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-cyano-3-[4-[[4-[(2Z)-2-(4-cyanophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(3-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]phenyl]propanoic acid;3-cyano-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]methoxy]acetic acid;4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 172920655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).