methyl 3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzoate

Systemtic Name: methyl 3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzoate Openeye Name: methyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]benzoate CAS Name: 3-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]benzoate Traditional Name: 3-[2-(4-benzylpiperazino)ethyl]benzoic acid methyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-25-21(24)20-9-5-8-18(16-20)10-11-22-12-14-23(15-13-22)17-19-6-3-2-4-7-19/h2-9,16H,10-15,17H2,1H3