[(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]dodecan-4-yl] ethanoate

Systemtic Name: [(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]dodecan-4-yl] ethanoate Openeye Name: [(1S)-1-[3-(benzylamino)-3-oxo-propyl]nonyl] acetate CAS Name: acetic acid [(4S)-1-oxo-1-[(phenylmethyl)amino]dodecan-4-yl] ester IUPAC Name: [(4S)-1-(benzylamino)-1-oxododecan-4-yl] acetate Traditional Name: acetic acid [(1S)-1-[3-(benzylamino)-3-keto-propyl]nonyl] ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC(=O)NCC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCCCCC[C@@H](CCC(=O)NCC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C21H33NO3/c1-3-4-5-6-7-11-14-20(25-18(2)23)15-16-21(24)22-17-19-12-9-8-10-13-19/h8-10,12-13,20H,3-7,11,14-17H2,1-2H3,(H,22,24)/t20-/m0/s1