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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=CC=C3Cl

InChI

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