(2S)-4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxo-butanoate CAS Name: (2S)-4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoate IUPAC Name: (2S)-4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoate Traditional Name: (2S)-4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-keto-butyrate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-22(2,3)15-10-8-14(9-11-15)20(24)12-17(21(25)26)18-13-23-19-7-5-4-6-16(18)19/h4-11,13,17,23H,12H2,1-3H3,(H,25,26)/p-1/t17-/m0/s1