methyl 5-(butylamino)-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoate

Systemtic Name: methyl 5-(butylamino)-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoate Openeye Name: methyl 3-(benzylamino)-5-(butylamino)-5-oxo-pentanoate CAS Name: 5-(butylamino)-5-oxo-3-[(phenylmethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-5-(butylamino)-5-oxopentanoate Traditional Name: 3-(benzylamino)-5-(butylamino)-5-keto-valeric acid methyl ester Formula: C17H26N2O3 MolecularWeight: 306.39994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC(CC(=O)OC)NCC1=CC=CC=C1

Isomeric SMILES

CCCCNC(=O)CC(CC(=O)OC)NCC1=CC=CC=C1

InChI

InChI=1S/C17H26N2O3/c1-3-4-10-18-16(20)11-15(12-17(21)22-2)19-13-14-8-6-5-7-9-14/h5-9,15,19H,3-4,10-13H2,1-2H3,(H,18,20)