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

Systemtic Name: (2S)-4-(4-ethoxyphenyl)-2-(1-methylindol-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-ethoxyphenyl)-2-(1-methylindol-3-yl)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-ethoxyphenyl)-2-(1-methyl-3-indolyl)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-ethoxyphenyl)-2-(1-methylindol-3-yl)-4-oxobutanoic acid Traditional Name: (2S)-4-keto-2-(1-methylindol-3-yl)-4-p-phenetyl-butyric acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@@H](C2=CN(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C21H21NO4/c1-3-26-15-10-8-14(9-11-15)20(23)12-17(21(24)25)18-13-22(2)19-7-5-4-6-16(18)19/h4-11,13,17H,3,12H2,1-2H3,(H,24,25)/t17-/m0/s1