[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C

InChI

InChI=1S/C21H23NO3/c1-14-8-9-16(12-15(14)2)13-19(23)25-20(17-6-4-3-5-7-17)21(24)22-18-10-11-18/h3-9,12,18,20H,10-11,13H2,1-2H3,(H,22,24)/t20-/m1/s1