methyl 3-[2-(4-pyrrol-1-ylphenyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4-pyrrol-1-ylphenyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzoic acid methyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-25-20(24)16-5-4-6-17(14-16)21-19(23)13-15-7-9-18(10-8-15)22-11-2-3-12-22/h2-12,14H,13H2,1H3,(H,21,23)