5-(octanoylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(octanoylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(octanoylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-(1-oxooctylamino)-N-(1-phenylethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(octanoylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(caprylylamino)-N-(1-phenylethyl)-2-pyrrolidino-benzamide Formula: C27H37N3O2 MolecularWeight: 435.60158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3O2/c1-3-4-5-6-10-15-26(31)29-23-16-17-25(30-18-11-12-19-30)24(20-23)27(32)28-21(2)22-13-8-7-9-14-22/h7-9,13-14,16-17,20-21H,3-6,10-12,15,18-19H2,1-2H3,(H,28,32)(H,29,31)