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

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-ethylphenyl)propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(4-ethylphenyl)propanoate CAS Name: 3-(4-ethylphenyl)propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(4-ethylphenyl)propanoate Traditional Name: 3-(4-ethylphenyl)propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H25NO3/c1-2-16-8-10-17(11-9-16)12-15-20(24)26-21(18-6-4-3-5-7-18)22(25)23-19-13-14-19/h3-11,19,21H,2,12-15H2,1H3,(H,23,25)/t21-/m1/s1