2-[3,4-dimethyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3,4-dimethyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3,4-dimethyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid CAS Name: 2-[3,4-dimethyl-5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]acetic acid IUPAC Name: 2-[3,4-dimethyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid Traditional Name: 2-(3,4-dimethyl-5-p-toluoyl-1H-pyrrol-2-yl)acetic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)CC(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)CC(=O)O)C)C

InChI

InChI=1S/C16H17NO3/c1-9-4-6-12(7-5-9)16(20)15-11(3)10(2)13(17-15)8-14(18)19/h4-7,17H,8H2,1-3H3,(H,18,19)