[3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate

C108H98ClNO25S4 — CID 176768225

IUPAC[3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate
SMILESCOc1ccc(N(C)C(=O)c2ccc(OC(=O)C3CCC(C(=O)C(=O)C4CCC(C(=O)C(=O)C5CCC(C(=O)C(=O)C6CCC(C(=O)C(=O)C7CCC(C(=O)Oc8ccc(OOc9ccc(OOc%10ccc(OOc%11ccc(OC)cc%11/C=C/C(=O)c%11cccs%11)cc%10/C=C/C(=O)c%10cccs%10)cc9/C=C/C(=O)c9cccs9)cc8/C=C/C(=O)c8cccs8)CC7)CC6)CC5)CC4)CC3)cc2Cl)cc1
InChIInChI=1S/C108H98ClNO25S4/c1-110(77-36-38-78(126-2)39-37-77)106(123)84-45-40-80(62-85(84)109)128-107(124)71-28-24-69(25-29-71)104(121)102(119)67-20-16-65(17-21-67)100(117)98(115)63-12-14-64(15-13-63)99(116)101(118)66-18-22-68(23-19-66)103(120)105(122)70-26-30-72(31-27-70)108(125)129-90-50-42-81(59-73(90)32-46-86(111)94-8-4-54-136-94)130-134-92-52-44-83(61-75(92)34-48-88(113)96-10-6-56-138-96)132-135-93-53-43-82(60-76(93)35-49-89(114)97-11-7-57-139-97)131-133-91-51-41-79(127-3)58-74(91)33-47-87(112)95-9-5-55-137-95/h4-11,32-72H,12-31H2,1-3H3/b46-32+,47-33+,48-34+,49-35+
InChIKeyXHBHULARFBCAKO-MQBVVPPPSA-N
MW1973.67 g/mol
LogP21.68
Rot. Bonds41

About [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate

[3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate (PubChem CID 176768225) has the molecular formula C108H98ClNO25S4 and a molecular weight of 1973.67 g/mol. Its IUPAC name is [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate
PubChem CID176768225
Molecular FormulaC108H98ClNO25S4
Molecular Weight1973.67 g/mol
Exact Mass1971.50
IUPAC Name[3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate
SMILESCOc1ccc(N(C)C(=O)c2ccc(OC(=O)C3CCC(C(=O)C(=O)C4CCC(C(=O)C(=O)C5CCC(C(=O)C(=O)C6CCC(C(=O)C(=O)C7CCC(C(=O)Oc8ccc(OOc9ccc(OOc%10ccc(OOc%11ccc(OC)cc%11/C=C/C(=O)c%11cccs%11)cc%10/C=C/C(=O)c%10cccs%10)cc9/C=C/C(=O)c9cccs9)cc8/C=C/C(=O)c8cccs8)CC7)CC6)CC5)CC4)CC3)cc2Cl)cc1
InChIInChI=1S/C108H98ClNO25S4/c1-110(77-36-38-78(126-2)39-37-77)106(123)84-45-40-80(62-85(84)109)128-107(124)71-28-24-69(25-29-71)104(121)102(119)67-20-16-65(17-21-67)100(117)98(115)63-12-14-64(15-13-63)99(116)101(118)66-18-22-68(23-19-66)103(120)105(122)70-26-30-72(31-27-70)108(125)129-90-50-42-81(59-73(90)32-46-86(111)94-8-4-54-136-94)130-134-92-52-44-83(61-75(92)34-48-88(113)96-10-6-56-138-96)132-135-93-53-43-82(60-76(93)35-49-89(114)97-11-7-57-139-97)131-133-91-51-41-79(127-3)58-74(91)33-47-87(112)95-9-5-55-137-95/h4-11,32-72H,12-31H2,1-3H3/b46-32+,47-33+,48-34+,49-35+
InChIKeyXHBHULARFBCAKO-MQBVVPPPSA-N
XLogP21.68
TPSA351.59 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds41
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.67
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-O-[4-(2-methoxyethyl)phenyl] 4-O-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 176768207
4-O-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenyl] 1-O-[4-[ethyl-(4-methoxyphenyl)carbamoyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 176768058
[4-(4-acetylcyclohexanecarbonyl)oxy-3-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]phenyl] 4-[(4-acetylphenyl)-methylcarbamoyl]benzoate
CID 176768111
4-O-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenyl] 1-O-[4-[(4-methoxycarbonylbenzoyl)-methylamino]-3-methylphenyl] cyclohexane-1,4-dicarboxylate
CID 176768216
4-O-[2-[(E)-3-(5-bromothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenyl] 1-O-[4-[ethyl-(4-methoxycarbonylphenyl)carbamoyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 176768205
1-O-[4-[[4-[4-[[4-[(4-acetylphenyl)-methylcarbamoyl]benzoyl]-methylamino]benzoyl]oxyphenyl]-ethylcarbamoyl]phenyl] 4-O-[4-methoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 176768035
4-O-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenyl] 1-O-[4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]peroxycyclohexyl]cyclohexyl] cyclohexane-1,4-dicarboxylate
CID 176768128
N-[[4-[4-[2-[4-[4-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethoxycarbonyl]cyclohexanecarbonyl]oxyphenyl]-oxidomethylidene]-4-methoxybenzenecarbohydrazonate
CID 176768066
1-O-[2-[4-[4-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenyl] cyclohexane-1,4-dicarboxylate
CID 176768245
1-O-[2-[4-[4-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-(2,5-ditert-butyl-4-methoxyphenyl) cyclohexane-1,4-dicarboxylate
CID 176768196
1-O-[2-[4-[4-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-methoxy-2,5-bis(2,4,4-trimethylpentan-2-yl)phenyl] cyclohexane-1,4-dicarboxylate
CID 176768255
1-O-[2-[4-[4-[2-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-4-methoxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-methoxy-2-(2-methylbutan-2-yl)phenyl] cyclohexane-1,4-dicarboxylate
CID 176768048

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate?
The IUPAC name of [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate (CID 176768225) is [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate.
What is the SMILES notation for [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate?
The canonical SMILES for [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate is COc1ccc(N(C)C(=O)c2ccc(OC(=O)C3CCC(C(=O)C(=O)C4CCC(C(=O)C(=O)C5CCC(C(=O)C(=O)C6CCC(C(=O)C(=O)C7CCC(C(=O)Oc8ccc(OOc9ccc(OOc%10ccc(OOc%11ccc(OC)cc%11/C=C/C(=O)c%11cccs%11)cc%10/C=C/C(=O)c%10cccs%10)cc9/C=C/C(=O)c9cccs9)cc8/C=C/C(=O)c8cccs8)CC7)CC6)CC5)CC4)CC3)cc2Cl)cc1.
What is the InChIKey of [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate?
The InChIKey is XHBHULARFBCAKO-MQBVVPPPSA-N. The full InChI is InChI=1S/C108H98ClNO25S4/c1-110(77-36-38-78(126-2)39-37-77)106(123)84-45-40-80(62-85(84)109)128-107(124)71-28-24-69(25-29-71)104(121)102(119)67-20-16-65(17-21-67)100(117)98(115)63-12-14-64(15-13-63)99(116)101(118)66-18-22-68(23-19-66)103(120)105(122)70-26-30-72(31-27-70)108(125)129-90-50-42-81(59-73(90)32-46-86(111)94-8-4-54-136-94)130-134-92-52-44-83(61-75(92)34-48-88(113)96-10-6-56-138-96)132-135-93-53-43-82(60-76(93)35-49-89(114)97-11-7-57-139-97)131-133-91-51-41-79(127-3)58-74(91)33-47-87(112)95-9-5-55-137-95/h4-11,32-72H,12-31H2,1-3H3/b46-32+,47-33+,48-34+,49-35+.
What are the key properties of [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate?
[3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate has a molecular weight of 1973.67 g/mol, XLogP of 21.68, 41 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(4-methoxyphenyl)-methylcarbamoyl]phenyl] 4-[2-[4-[2-[4-[2-[4-[2-[4-[4-[4-[4-[4-methoxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]peroxy-2-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]carbonylcyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexyl]-2-oxoacetyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 176768225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).