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

Systemtic Name: 3-[1-(4-ethanoylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(4-acetylphenyl)-5-(p-tolyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(4-acetylphenyl)-5-(4-methylphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(4-acetylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(4-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=C(C=C3)C(=O)C)CCC(=O)[O-]

Isomeric SMILES

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

InChI

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