[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-2-indan-5-yl-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1S)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)[C@H](C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21NO4/c1-14(21(24)19-9-8-17-4-3-5-18(17)12-19)27-22(25)15(2)26-20-10-6-16(13-23)7-11-20/h6-12,14-15H,3-5H2,1-2H3/t14-,15-/m0/s1