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

Systemtic Name: methyl 4-[[3-(3-methoxyphenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate Openeye Name: methyl 4-[[3-(3-methoxyphenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate CAS Name: 4-[[3-(3-methoxyphenyl)-1-oxo-3-(1-pyrrolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanoyl]amino]benzoate Traditional Name: 4-[[3-(3-methoxyphenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC(=O)NC2=CC=C(C=C2)C(=O)OC)N3C=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(CC(=O)NC2=CC=C(C=C2)C(=O)OC)N3C=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-27-19-7-5-6-17(14-19)20(24-12-3-4-13-24)15-21(25)23-18-10-8-16(9-11-18)22(26)28-2/h3-14,20H,15H2,1-2H3,(H,23,25)