5-(octanoylamino)-N-phenethyl-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: 5-(octanoylamino)-N-phenethyl-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-(octanoylamino)-N-phenethyl-benzamide CAS Name: 5-(1-oxooctylamino)-N-phenethyl-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-(octanoylamino)-N-phenethylbenzamide Traditional Name: 2-(4-benzylpiperidino)-5-(caprylylamino)-N-phenethyl-benzamide Formula: C35H45N3O2 MolecularWeight: 539.7507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C35H45N3O2/c1-2-3-4-5-12-17-34(39)37-31-18-19-33(32(27-31)35(40)36-23-20-28-13-8-6-9-14-28)38-24-21-30(22-25-38)26-29-15-10-7-11-16-29/h6-11,13-16,18-19,27,30H,2-5,12,17,20-26H2,1H3,(H,36,40)(H,37,39)