[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-14-10-15(2)12-18(11-14)25-13-19(23)26-20(16-6-4-3-5-7-16)21(24)22-17-8-9-17/h3-7,10-12,17,20H,8-9,13H2,1-2H3,(H,22,24)/t20-/m1/s1