methyl 4-[(3-phenyl-3-pyrrol-1-yl-propanoyl)amino]benzoate

Systemtic Name: methyl 4-[(3-phenyl-3-pyrrol-1-yl-propanoyl)amino]benzoate Openeye Name: methyl 4-[(3-phenyl-3-pyrrol-1-yl-propanoyl)amino]benzoate CAS Name: 4-[[1-oxo-3-phenyl-3-(1-pyrrolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-phenyl-3-pyrrol-1-ylpropanoyl)amino]benzoate Traditional Name: 4-[(3-phenyl-3-pyrrol-1-yl-propanoyl)amino]benzoic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-26-21(25)17-9-11-18(12-10-17)22-20(24)15-19(23-13-5-6-14-23)16-7-3-2-4-8-16/h2-14,19H,15H2,1H3,(H,22,24)