2-[(5-methoxycarbonylpyridin-3-yl)carbonylcarbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(5-methoxycarbonylpyridin-3-yl)carbonylcarbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid Openeye Name: 2-[(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid CAS Name: 2-[[[(5-methoxycarbonyl-3-pyridinyl)-oxomethyl]amino]-oxomethyl]-3-phenyl-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]-3-phenylcyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxynicotinoyl)carbamoyl]-3-phenyl-cyclohexene-1-carboxylic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CC(=C1)C(=O)NC(=O)C2=C(CCCC2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=CN=CC(=C1)C(=O)NC(=O)C2=C(CCCC2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20N2O6/c1-30-22(29)15-10-14(11-23-12-15)19(25)24-20(26)18-16(13-6-3-2-4-7-13)8-5-9-17(18)21(27)28/h2-4,6-7,10-12,16H,5,8-9H2,1H3,(H,27,28)(H,24,25,26)