[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)OC

InChI

InChI=1S/C22H25NO5/c1-26-18-12-8-15(14-19(18)27-2)9-13-20(24)28-21(16-6-4-3-5-7-16)22(25)23-17-10-11-17/h3-8,12,14,17,21H,9-11,13H2,1-2H3,(H,23,25)/t21-/m1/s1