2-(carboxymethyl)-1,4-dimethyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1,4-dimethyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-1,4-dimethyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-1,4-dimethyl-5-[(4-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-1,4-dimethyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-1,4-dimethyl-5-p-toluoyl-pyrrole-3-carboxylic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2C)CC(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2C)CC(=O)O)C(=O)O)C

InChI

InChI=1S/C17H17NO5/c1-9-4-6-11(7-5-9)16(21)15-10(2)14(17(22)23)12(18(15)3)8-13(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,22,23)