2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]propanoic acid CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]propanoic acid IUPAC Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]propanoic acid Traditional Name: 2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)propionic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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