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

Systemtic Name: 2-[2,3,5-trimethyl-4-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[2,3,5-trimethyl-4-(4-methylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[2,3,5-trimethyl-4-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[2,3,5-trimethyl-4-(4-methylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-(2,3,5-trimethyl-4-p-toluoyl-pyrrol-2-yl)acetic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(N=C2C)(C)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(N=C2C)(C)CC(=O)O)C

InChI

InChI=1S/C17H19NO3/c1-10-5-7-13(8-6-10)16(21)15-11(2)17(4,9-14(19)20)18-12(15)3/h5-8H,9H2,1-4H3,(H,19,20)