methyl 3-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 3-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)CNC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)CNC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H22ClN3O3/c1-14-10-17(15(2)26(14)20-9-5-7-18(23)12-20)13-24-22(28)25-19-8-4-6-16(11-19)21(27)29-3/h4-12H,13H2,1-3H3,(H2,24,25,28)