methyl 3-[[4-[1-(2-chlorophenyl)-2-methoxy-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-[1-(2-chlorophenyl)-2-methoxy-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[1-(2-chlorophenyl)-2-methoxy-2-oxo-ethyl]piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-[1-(2-chlorophenyl)-2-keto-2-methoxy-ethyl]piperazino]methyl]benzoic acid methyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4/c1-28-21(26)17-7-5-6-16(14-17)15-24-10-12-25(13-11-24)20(22(27)29-2)18-8-3-4-9-19(18)23/h3-9,14,20H,10-13,15H2,1-2H3