[1,4-bis(phenylmethyl)piperazin-2-yl]methyl octadecanoate

Systemtic Name: [1,4-bis(phenylmethyl)piperazin-2-yl]methyl octadecanoate Openeye Name: (1,4-dibenzylpiperazin-2-yl)methyl octadecanoate CAS Name: octadecanoic acid [1,4-bis(phenylmethyl)-2-piperazinyl]methyl ester IUPAC Name: (1,4-dibenzylpiperazin-2-yl)methyl octadecanoate Traditional Name: stearic acid (1,4-dibenzylpiperazin-2-yl)methyl ester Formula: C37H58N2O2 MolecularWeight: 562.86862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C37H58N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-37(40)41-33-36-32-38(30-34-23-18-16-19-24-34)28-29-39(36)31-35-25-20-17-21-26-35/h16-21,23-26,36H,2-15,22,27-33H2,1H3