methyl 4-[[3-(2-methylphenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[3-(2-methylphenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate Openeye Name: methyl 4-[[3-(o-tolyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate CAS Name: 4-[[3-(2-methylphenyl)-1-oxo-3-(1-pyrrolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylphenyl)-3-pyrrol-1-ylpropanoyl]amino]benzoate Traditional Name: 4-[[3-(o-tolyl)-3-pyrrol-1-yl-propanoyl]amino]benzoic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)NC2=CC=C(C=C2)C(=O)OC)N3C=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)NC2=CC=C(C=C2)C(=O)OC)N3C=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-16-7-3-4-8-19(16)20(24-13-5-6-14-24)15-21(25)23-18-11-9-17(10-12-18)22(26)27-2/h3-14,20H,15H2,1-2H3,(H,23,25)