[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-15-8-9-16(2)19(14-15)26-13-12-20(24)27-21(17-6-4-3-5-7-17)22(25)23-18-10-11-18/h3-9,14,18,21H,10-13H2,1-2H3,(H,23,25)/t21-/m0/s1