[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C21H23NO5/c1-4-13-22-20(24)14(2)26-21(25)18-7-5-16(6-8-18)17-9-11-19(12-10-17)27-15(3)23/h5-12,14H,4,13H2,1-3H3,(H,22,24)/t14-/m0/s1