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

Systemtic Name: methyl 2-[2-[methyl-(4-pyrrol-1-ylphenyl)carbonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl-(4-pyrrol-1-ylbenzoyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methyl-[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-(4-pyrrol-1-ylbenzoyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[methyl-(4-pyrrol-1-ylbenzoyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-24(15-20(26)23-19-8-4-3-7-18(19)22(28)29-2)21(27)16-9-11-17(12-10-16)25-13-5-6-14-25/h3-14H,15H2,1-2H3,(H,23,26)