2-[3-(4-acetamidophenyl)-1-methyl-5-(4-methylphenyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-(4-acetamidophenyl)-1-methyl-5-(4-methylphenyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-(4-acetamidophenyl)-1-methyl-5-(p-tolyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3-(4-acetamidophenyl)-1-methyl-5-(4-methylphenyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-(4-acetamidophenyl)-1-methyl-5-(4-methylphenyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[3-(4-acetamidophenyl)-1-methyl-5-(p-tolyl)pyrrol-2-yl]acetic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(N2C)CC(=O)O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(N2C)CC(=O)O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H22N2O3/c1-14-4-6-17(7-5-14)20-12-19(21(24(20)3)13-22(26)27)16-8-10-18(11-9-16)23-15(2)25/h4-12H,13H2,1-3H3,(H,23,25)(H,26,27)