ethyl (E)-3-[(2S)-4-butyl-1-(phenylmethyl)piperazin-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(2S)-4-butyl-1-(phenylmethyl)piperazin-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[(2S)-1-benzyl-4-butyl-piperazin-2-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-4-butyl-1-(phenylmethyl)-2-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(2S)-1-benzyl-4-butylpiperazin-2-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-1-benzyl-4-butyl-piperazin-2-yl]acrylic acid ethyl ester Formula: C20H30N2O2 MolecularWeight: 330.4644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(C1)C=CC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1CCN([C@H](C1)/C=C/C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O2/c1-3-5-13-21-14-15-22(16-18-9-7-6-8-10-18)19(17-21)11-12-20(23)24-4-2/h6-12,19H,3-5,13-17H2,1-2H3/b12-11+/t19-/m0/s1