[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-(3,4-dimethylphenoxy)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-(3,4-dimethylphenoxy)ethanoate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 2-(3,4-dimethylphenoxy)acetate CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 2-(3,4-dimethylphenoxy)acetate Traditional Name: 2-(3,4-dimethylphenoxy)acetic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)COC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)COC2=CC(=C(C=C2)C)C

InChI

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