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

Systemtic Name: 4-[2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetyl]amino]benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20N2O4/c1-14-3-5-15(6-4-14)21(26)19-12-11-18(24(19)2)13-20(25)23-17-9-7-16(8-10-17)22(27)28/h3-12H,13H2,1-2H3,(H,23,25)(H,27,28)