3-phenyl-2-(pyridin-3-ylcarbonylcarbamoyl)cyclohexene-1-carboxylic acid

Systemtic Name: 3-phenyl-2-(pyridin-3-ylcarbonylcarbamoyl)cyclohexene-1-carboxylic acid Openeye Name: 3-phenyl-2-(pyridine-3-carbonylcarbamoyl)cyclohexene-1-carboxylic acid CAS Name: 2-[oxo-[[oxo(3-pyridinyl)methyl]amino]methyl]-3-phenyl-1-cyclohexenecarboxylic acid IUPAC Name: 3-phenyl-2-(pyridine-3-carbonylcarbamoyl)cyclohexene-1-carboxylic acid Traditional Name: 2-(nicotinoylcarbamoyl)-3-phenyl-cyclohexene-1-carboxylic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=C(C1)C(=O)O)C(=O)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC(C(=C(C1)C(=O)O)C(=O)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4/c23-18(14-8-5-11-21-12-14)22-19(24)17-15(13-6-2-1-3-7-13)9-4-10-16(17)20(25)26/h1-3,5-8,11-12,15H,4,9-10H2,(H,25,26)(H,22,23,24)