[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H23NO4/c1-3-26-18-11-8-16(9-12-18)22(25)15(2)27-21(24)13-10-17-14-23-20-7-5-4-6-19(17)20/h4-9,11-12,14-15,23H,3,10,13H2,1-2H3/t15-/m0/s1