3-[1-(3-ethanoylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(3-ethanoylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(3-acetylphenyl)-5-(p-tolyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(3-acetylphenyl)-5-(4-methylphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(3-acetylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(3-acetylphenyl)-5-(p-tolyl)pyrrol-2-yl]propionate Formula: C22H20NO3- MolecularWeight: 346.3991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)C)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)C)CCC(=O)[O-]

InChI

InChI=1S/C22H21NO3/c1-15-6-8-17(9-7-15)21-12-10-19(11-13-22(25)26)23(21)20-5-3-4-18(14-20)16(2)24/h3-10,12,14H,11,13H2,1-2H3,(H,25,26)/p-1