methyl 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-28-21(27)18-7-2-3-8-19(18)23-20(26)15-25-11-9-24(10-12-25)14-16-5-4-6-17(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)