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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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