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

Systemtic Name: (2S)-2-(1H-indol-3-yl)-4-oxidanylidene-4-(4-propan-2-ylphenyl)butanoic acid Openeye Name: (2S)-2-(1H-indol-3-yl)-4-(4-isopropylphenyl)-4-oxo-butanoic acid CAS Name: (2S)-2-(1H-indol-3-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid IUPAC Name: (2S)-2-(1H-indol-3-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid Traditional Name: (2S)-2-(1H-indol-3-yl)-4-keto-4-p-cumenyl-butyric acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-13(2)14-7-9-15(10-8-14)20(23)11-17(21(24)25)18-12-22-19-6-4-3-5-16(18)19/h3-10,12-13,17,22H,11H2,1-2H3,(H,24,25)/t17-/m0/s1