methyl 3-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 3-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-[(4-chlorophenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(4-chlorobenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-28-20(26)16-4-2-5-18(12-16)24-21(27)23-13-19-6-3-11-25(19)14-15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3,(H2,23,24,27)