[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-(4-ethylphenoxy)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-(4-ethylphenoxy)ethanoate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 2-(4-ethylphenoxy)acetate CAS Name: 2-(4-ethylphenoxy)acetic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 2-(4-ethylphenoxy)acetate Traditional Name: 2-(4-ethylphenoxy)acetic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)OC(CC)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)O[C@@H](CC)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-3-16-10-12-18(13-11-16)25-15-20(23)26-19(4-2)21(24)22-14-17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,24)/t19-/m0/s1