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

Systemtic Name: methyl 3-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 3-(4-benzylpiperazin-1-yl)benzoate CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperazin-1-yl)benzoate Traditional Name: 3-(4-benzylpiperazino)benzoic acid methyl ester Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-23-19(22)17-8-5-9-18(14-17)21-12-10-20(11-13-21)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3