(2S)-4-(4-ethoxyphenyl)-2-(1H-indol-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-ethoxyphenyl)-2-(1H-indol-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-ethoxyphenyl)-2-(1H-indol-3-yl)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-ethoxyphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-ethoxyphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid Traditional Name: (2S)-2-(1H-indol-3-yl)-4-keto-4-p-phenetyl-butyric acid Formula: C20H19NO4 MolecularWeight: 337.36916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@@H](C2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C20H19NO4/c1-2-25-14-9-7-13(8-10-14)19(22)11-16(20(23)24)17-12-21-18-6-4-3-5-15(17)18/h3-10,12,16,21H,2,11H2,1H3,(H,23,24)/t16-/m0/s1