methyl (E)-4-[4-(phenylmethyl)piperazin-1-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[4-(phenylmethyl)piperazin-1-yl]but-2-enoate Openeye Name: methyl (E)-4-(4-benzylpiperazin-1-yl)but-2-enoate CAS Name: (E)-4-[4-(phenylmethyl)-1-piperazinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-benzylpiperazin-1-yl)but-2-enoate Traditional Name: (E)-4-(4-benzylpiperazino)but-2-enoic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/CN1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2/c1-20-16(19)8-5-9-17-10-12-18(13-11-17)14-15-6-3-2-4-7-15/h2-8H,9-14H2,1H3/b8-5+