ethyl 1-[2-(octanoylamino)-3-phenyl-propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(octanoylamino)-3-phenyl-propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(octanoylamino)-3-phenyl-propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(1-oxooctylamino)-3-phenylpropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(octanoylamino)-3-phenylpropanoyl]piperidine-3-carboxylate Traditional Name: 1-[2-(caprylylamino)-3-phenyl-propanoyl]nipecotic acid ethyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C25H38N2O4/c1-3-5-6-7-11-16-23(28)26-22(18-20-13-9-8-10-14-20)24(29)27-17-12-15-21(19-27)25(30)31-4-2/h8-10,13-14,21-22H,3-7,11-12,15-19H2,1-2H3,(H,26,28)