octyl 2-(1-oxidanylidenepropan-2-ylamino)-4-phenyl-butanoate

Systemtic Name: octyl 2-(1-oxidanylidenepropan-2-ylamino)-4-phenyl-butanoate Openeye Name: octyl 2-[(1-methyl-2-oxo-ethyl)amino]-4-phenyl-butanoate CAS Name: 2-(1-oxopropan-2-ylamino)-4-phenylbutanoic acid octyl ester IUPAC Name: octyl 2-(1-oxopropan-2-ylamino)-4-phenylbutanoate Traditional Name: 2-[(2-keto-1-methyl-ethyl)amino]-4-phenyl-butyric acid octyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCC1=CC=CC=C1)NC(C)C=O

Isomeric SMILES

CCCCCCCCOC(=O)C(CCC1=CC=CC=C1)NC(C)C=O

InChI

InChI=1S/C21H33NO3/c1-3-4-5-6-7-11-16-25-21(24)20(22-18(2)17-23)15-14-19-12-9-8-10-13-19/h8-10,12-13,17-18,20,22H,3-7,11,14-16H2,1-2H3