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

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [(1S)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)[C@@H](C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O4/c1-14(21(25)24-19-9-8-17-4-3-5-18(17)12-19)28-22(26)15(2)27-20-10-6-16(13-23)7-11-20/h6-12,14-15H,3-5H2,1-2H3,(H,24,25)/t14-,15+/m0/s1