methyl 4-[[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-27-19(25)16-7-5-15(6-8-16)14-22-20(26)24-11-9-23(10-12-24)18-4-2-3-17(21)13-18/h2-8,13H,9-12,14H2,1H3,(H,22,26)