2-[(4-methylpyridin-3-yl)carbonylcarbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(4-methylpyridin-3-yl)carbonylcarbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-methylpyridine-3-carbonyl)carbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid CAS Name: 2-[[[(4-methyl-3-pyridinyl)-oxomethyl]amino]-oxomethyl]-3-phenyl-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-methylpyridine-3-carbonyl)carbamoyl]-3-phenylcyclohexene-1-carboxylic acid Traditional Name: 2-[(4-methylnicotinoyl)carbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C(=O)NC(=O)C2=C(CCCC2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=NC=C1)C(=O)NC(=O)C2=C(CCCC2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-13-10-11-22-12-17(13)19(24)23-20(25)18-15(14-6-3-2-4-7-14)8-5-9-16(18)21(26)27/h2-4,6-7,10-12,15H,5,8-9H2,1H3,(H,26,27)(H,23,24,25)