disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate

C161H154FN11Na2O34 — CID 172951793

IUPACdisodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
SMILESCO/N=C(\COc1ccc(COc2ccc(-c3c(C)noc3CC(=O)O)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(/C(CC(=O)O)=N\OC)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)[O-])c(F)c2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)[O-])c(OC)c2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1)c1ccccc1.[C-]#[N+]c1ccc(/C(COc2ccc(CNc3ccc(-c4onc(C)c4CCC(=O)O)cc3)cc2)=N/OC)cc1.[Na+].[Na+]
InChIInChI=1S/C30H28N4O5.C28H26N2O6.C26H26N2O6.C26H25NO6.C26H27NO6.C25H24FNO5.2Na/c1-20-27(16-17-29(35)36)30(39-33-20)23-8-12-25(13-9-23)32-18-21-4-14-26(15-5-21)38-19-28(34-37-3)22-6-10-24(31-2)11-7-22;1-19-28(26(36-29-19)16-27(31)32)22-10-14-24(15-11-22)34-17-20-8-12-23(13-9-20)35-18-25(30-33-2)21-6-4-3-5-7-21;1-31-27-24(16-26(29)30)21-10-14-23(15-11-21)33-17-19-8-12-22(13-9-19)34-18-25(28-32-2)20-6-4-3-5-7-20;1-30-27-24(19-5-3-2-4-6-19)17-32-21-9-7-18(8-10-21)15-31-22-11-12-23-20(13-26(28)29)16-33-25(23)14-22;1-30-25-16-23(14-10-21(25)11-15-26(28)29)32-17-19-8-12-22(13-9-19)33-18-24(27-31-2)20-6-4-3-5-7-20;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;;/h4-15,32H,16-19H2,1,3H3,(H,35,36);3-15H,16-18H2,1-2H3,(H,31,32);3-15H,16-18H2,1-2H3,(H,29,30);2-12,14,20H,13,15-17H2,1H3,(H,28,29);3-10,12-14,16H,11,15,17-18H2,1-2H3,(H,28,29);2-9,11-13,15H,10,14,16-17H2,1H3,(H,28,29);;/q;;;;;;2*+1/p-2/b34-28+;30-25+;27-24-,28-25+;3*27-24+;;
InChIKeyMICQZXJRZNAQBU-PMHTYDSKSA-L
MW2852.02 g/mol
LogP21.62
Rot. Bonds68

About disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate

disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate (PubChem CID 172951793) has the molecular formula C161H154FN11Na2O34 and a molecular weight of 2852.02 g/mol. Its IUPAC name is disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Namedisodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
PubChem CID172951793
Molecular FormulaC161H154FN11Na2O34
Molecular Weight2852.02 g/mol
Exact Mass2850.04
IUPAC Namedisodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
SMILESCO/N=C(\COc1ccc(COc2ccc(-c3c(C)noc3CC(=O)O)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(/C(CC(=O)O)=N\OC)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)[O-])c(F)c2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)[O-])c(OC)c2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1)c1ccccc1.[C-]#[N+]c1ccc(/C(COc2ccc(CNc3ccc(-c4onc(C)c4CCC(=O)O)cc3)cc2)=N/OC)cc1.[Na+].[Na+]
InChIInChI=1S/C30H28N4O5.C28H26N2O6.C26H26N2O6.C26H25NO6.C26H27NO6.C25H24FNO5.2Na/c1-20-27(16-17-29(35)36)30(39-33-20)23-8-12-25(13-9-23)32-18-21-4-14-26(15-5-21)38-19-28(34-37-3)22-6-10-24(31-2)11-7-22;1-19-28(26(36-29-19)16-27(31)32)22-10-14-24(15-11-22)34-17-20-8-12-23(13-9-20)35-18-25(30-33-2)21-6-4-3-5-7-21;1-31-27-24(16-26(29)30)21-10-14-23(15-11-21)33-17-19-8-12-22(13-9-19)34-18-25(28-32-2)20-6-4-3-5-7-20;1-30-27-24(19-5-3-2-4-6-19)17-32-21-9-7-18(8-10-21)15-31-22-11-12-23-20(13-26(28)29)16-33-25(23)14-22;1-30-25-16-23(14-10-21(25)11-15-26(28)29)32-17-19-8-12-22(13-9-19)33-18-24(27-31-2)20-6-4-3-5-7-20;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;;/h4-15,32H,16-19H2,1,3H3,(H,35,36);3-15H,16-18H2,1-2H3,(H,31,32);3-15H,16-18H2,1-2H3,(H,29,30);2-12,14,20H,13,15-17H2,1H3,(H,28,29);3-10,12-14,16H,11,15,17-18H2,1-2H3,(H,28,29);2-9,11-13,15H,10,14,16-17H2,1H3,(H,28,29);;/q;;;;;;2*+1/p-2/b34-28+;30-25+;27-24-,28-25+;3*27-24+;;
InChIKeyMICQZXJRZNAQBU-PMHTYDSKSA-L
XLogP21.62
TPSA569.03 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds68
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002852.02
LogP ≤ 521.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[[4-[2-(3,4-difluorophenyl)-2-methoxyiminoethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 141440201
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
2-[6-[[4-(2-phenyl-2-propoxyiminoethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 141440211
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methylamino]phenyl]propanoic acid
CID 56639921
3-[2-(cyanomethoxy)-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640643
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
3-[2-cyano-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640209
(Z)-N-methoxy-2-[2-methoxy-4-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]phenoxy]-1-phenylethanimine
CID 172922259
2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid
CID 155302310
amino 3-[2-fluoro-4-[[3-methoxy-4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 172961080
2-[6-[[3-(2,6-dimethylphenyl)-4-methoxyphenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 23111692
amino 3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]phenyl]methoxy]phenyl]propanoate
CID 172973181

Frequently Asked Questions

What is the IUPAC name of disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate?
The IUPAC name of disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate (CID 172951793) is disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate.
What is the SMILES notation for disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate?
The canonical SMILES for disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate is CO/N=C(\COc1ccc(COc2ccc(-c3c(C)noc3CC(=O)O)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(/C(CC(=O)O)=N\OC)cc2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)[O-])c(F)c2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc(CCC(=O)[O-])c(OC)c2)cc1)c1ccccc1.CO/N=C(\COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1)c1ccccc1.[C-]#[N+]c1ccc(/C(COc2ccc(CNc3ccc(-c4onc(C)c4CCC(=O)O)cc3)cc2)=N/OC)cc1.[Na+].[Na+].
What is the InChIKey of disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate?
The InChIKey is MICQZXJRZNAQBU-PMHTYDSKSA-L. The full InChI is InChI=1S/C30H28N4O5.C28H26N2O6.C26H26N2O6.C26H25NO6.C26H27NO6.C25H24FNO5.2Na/c1-20-27(16-17-29(35)36)30(39-33-20)23-8-12-25(13-9-23)32-18-21-4-14-26(15-5-21)38-19-28(34-37-3)22-6-10-24(31-2)11-7-22;1-19-28(26(36-29-19)16-27(31)32)22-10-14-24(15-11-22)34-17-20-8-12-23(13-9-20)35-18-25(30-33-2)21-6-4-3-5-7-21;1-31-27-24(16-26(29)30)21-10-14-23(15-11-21)33-17-19-8-12-22(13-9-19)34-18-25(28-32-2)20-6-4-3-5-7-20;1-30-27-24(19-5-3-2-4-6-19)17-32-21-9-7-18(8-10-21)15-31-22-11-12-23-20(13-26(28)29)16-33-25(23)14-22;1-30-25-16-23(14-10-21(25)11-15-26(28)29)32-17-19-8-12-22(13-9-19)33-18-24(27-31-2)20-6-4-3-5-7-20;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;;/h4-15,32H,16-19H2,1,3H3,(H,35,36);3-15H,16-18H2,1-2H3,(H,31,32);3-15H,16-18H2,1-2H3,(H,29,30);2-12,14,20H,13,15-17H2,1H3,(H,28,29);3-10,12-14,16H,11,15,17-18H2,1-2H3,(H,28,29);2-9,11-13,15H,10,14,16-17H2,1H3,(H,28,29);;/q;;;;;;2*+1/p-2/b34-28+;30-25+;27-24-,28-25+;3*27-24+;;.
What are the key properties of disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate?
disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate has a molecular weight of 2852.02 g/mol, XLogP of 21.62, 68 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate;3-[5-[4-[[4-[(2Z)-2-(4-isocyanophenyl)-2-methoxyiminoethoxy]phenyl]methylamino]phenyl]-3-methyl-1,2-oxazol-4-yl]propanoic acid;(3Z)-3-methoxyimino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid;2-[6-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[4-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-methyl-1,2-oxazol-5-yl]acetic acid;3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate is sourced from PubChem (CID 172951793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).