4-[4-[(5-cyano-1H-imidazol-2-yl)carbonylamino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-[(5-cyano-1H-imidazol-2-yl)carbonylamino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 4-[4-[[(5-cyano-1H-imidazol-2-yl)-oxomethyl]amino]-3-(4,4-dimethyl-1-cyclohexenyl)phenyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC1)C2=C(C=CC(=C2)C3(CCC(CC3)C(=O)O)O)NC(=O)C4=NC=C(N4)C#N)C

Isomeric SMILES

CC1(CCC(=CC1)C2=C(C=CC(=C2)C3(CCC(CC3)C(=O)O)O)NC(=O)C4=NC=C(N4)C#N)C

InChI

InChI=1S/C26H30N4O4/c1-25(2)9-5-16(6-10-25)20-13-18(26(34)11-7-17(8-12-26)24(32)33)3-4-21(20)30-23(31)22-28-15-19(14-27)29-22/h3-5,13,15,17,34H,6-12H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)