[(2S)-1,4-bis(phenylmethyl)piperazin-2-yl]methyl 2-chloranylbenzoate

Systemtic Name: [(2S)-1,4-bis(phenylmethyl)piperazin-2-yl]methyl 2-chloranylbenzoate Openeye Name: [(2S)-1,4-dibenzylpiperazin-2-yl]methyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(2S)-1,4-bis(phenylmethyl)-2-piperazinyl]methyl ester IUPAC Name: [(2S)-1,4-dibenzylpiperazin-2-yl]methyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(2S)-1,4-dibenzylpiperazin-2-yl]methyl ester Formula: C26H27ClN2O2 MolecularWeight: 434.95778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)COC(=O)C3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@@H](CN1CC2=CC=CC=C2)COC(=O)C3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2O2/c27-25-14-8-7-13-24(25)26(30)31-20-23-19-28(17-21-9-3-1-4-10-21)15-16-29(23)18-22-11-5-2-6-12-22/h1-14,23H,15-20H2/t23-/m0/s1