1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-[4-(phenylmethoxycarbonylamino)cyclohexyl]pyridine-3-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-[4-(phenylmethoxycarbonylamino)cyclohexyl]pyridine-3-carboxylic acid Openeye Name: 6-[4-(benzyloxycarbonylamino)cyclohexyl]-1-(4-hydroxy-2-methyl-phenyl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-[4-(phenylmethoxycarbonylamino)cyclohexyl]-3-pyridinecarboxylic acid IUPAC Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-[4-(phenylmethoxycarbonylamino)cyclohexyl]pyridine-3-carboxylic acid Traditional Name: 6-[4-(benzyloxycarbonylamino)cyclohexyl]-1-(4-hydroxy-2-methyl-phenyl)-4-keto-nicotinic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2C3CCC(CC3)NC(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2C3CCC(CC3)NC(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H28N2O6/c1-17-13-21(30)11-12-23(17)29-15-22(26(32)33)25(31)14-24(29)19-7-9-20(10-8-19)28-27(34)35-16-18-5-3-2-4-6-18/h2-6,11-15,19-20,30H,7-10,16H2,1H3,(H,28,34)(H,32,33)