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

Systemtic Name: methyl 3-[4-(phenylmethyl)piperazin-1-yl]butanoate Openeye Name: methyl 3-(4-benzylpiperazin-1-yl)butanoate CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]butanoic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperazin-1-yl)butanoate Traditional Name: 3-(4-benzylpiperazino)butyric acid methyl ester Formula: C16H24N2O2 MolecularWeight: 276.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-14(12-16(19)20-2)18-10-8-17(9-11-18)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3