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

Systemtic Name: 2-[1,4-dimethyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[1,4-dimethyl-5-(4-methylbenzoyl)pyrrol-2-yl]propanoic acid CAS Name: 2-[1,4-dimethyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]propanoic acid IUPAC Name: 2-[1,4-dimethyl-5-(4-methylbenzoyl)pyrrol-2-yl]propanoic acid Traditional Name: 2-(1,4-dimethyl-5-p-toluoyl-pyrrol-2-yl)propionic 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=C(N2C)C(C)C(=O)O)C

Isomeric SMILES

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

InChI

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