2-(carboxymethyl)-4-methoxy-1-methyl-5-(2-methylphenyl)carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-4-methoxy-1-methyl-5-(2-methylphenyl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-4-methoxy-1-methyl-5-(2-methylbenzoyl)pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-4-methoxy-1-methyl-5-[(2-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-4-methoxy-1-methyl-5-(2-methylbenzoyl)pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-4-methoxy-1-methyl-5-o-toluoyl-pyrrole-3-carboxylic acid Formula: C17H17NO6 MolecularWeight: 331.31998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(C(=C(N2C)CC(=O)O)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(C(=C(N2C)CC(=O)O)C(=O)O)OC

InChI

InChI=1S/C17H17NO6/c1-9-6-4-5-7-10(9)15(21)14-16(24-3)13(17(22)23)11(18(14)2)8-12(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,22,23)