[1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl] benzoate

Systemtic Name: [1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl] benzoate Openeye Name: [3-(4-benzylpiperazin-1-yl)-1-phenyl-propyl] benzoate CAS Name: benzoic acid [1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]propyl] ester IUPAC Name: [3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] benzoate Traditional Name: benzoic acid [3-(4-benzylpiperazino)-1-phenyl-propyl] ester Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c30-27(25-14-8-3-9-15-25)31-26(24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-1-5-11-23/h1-15,26H,16-22H2