4-[(5-cyano-1H-imidazol-2-yl)carbonylamino]-3-(4,4-dimethylcyclohexen-1-yl)benzoic acid

Systemtic Name: 4-[(5-cyano-1H-imidazol-2-yl)carbonylamino]-3-(4,4-dimethylcyclohexen-1-yl)benzoic acid Openeye Name: 4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)benzoic acid CAS Name: 4-[[(5-cyano-1H-imidazol-2-yl)-oxomethyl]amino]-3-(4,4-dimethyl-1-cyclohexenyl)benzoic acid IUPAC Name: 4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)benzoic acid Traditional Name: 4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)benzoic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC1)C2=C(C=CC(=C2)C(=O)O)NC(=O)C3=NC=C(N3)C#N)C

Isomeric SMILES

CC1(CCC(=CC1)C2=C(C=CC(=C2)C(=O)O)NC(=O)C3=NC=C(N3)C#N)C

InChI

InChI=1S/C20H20N4O3/c1-20(2)7-5-12(6-8-20)15-9-13(19(26)27)3-4-16(15)24-18(25)17-22-11-14(10-21)23-17/h3-5,9,11H,6-8H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)