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

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H23NO3/c1-3-16-8-10-17(11-9-16)22(25)15(2)26-21(24)13-12-18-14-23-20-7-5-4-6-19(18)20/h4-11,14-15,23H,3,12-13H2,1-2H3/t15-/m0/s1