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

Systemtic Name: methyl 4-[2-(4-chlorophenyl)-2-oxidanylidene-1-piperazin-1-yl-ethyl]benzoate Openeye Name: methyl 4-[2-(4-chlorophenyl)-2-oxo-1-piperazin-1-yl-ethyl]benzoate CAS Name: 4-[2-(4-chlorophenyl)-2-oxo-1-(1-piperazinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-chlorophenyl)-2-oxo-1-piperazin-1-ylethyl]benzoate Traditional Name: 4-[2-(4-chlorophenyl)-2-keto-1-piperazino-ethyl]benzoic acid methyl ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)Cl)N3CCNCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)Cl)N3CCNCC3

InChI

InChI=1S/C20H21ClN2O3/c1-26-20(25)16-4-2-14(3-5-16)18(23-12-10-22-11-13-23)19(24)15-6-8-17(21)9-7-15/h2-9,18,22H,10-13H2,1H3