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

Systemtic Name: (2S)-4-(4-tert-butylphenyl)-2-(1-methylindol-3-yl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-tert-butylphenyl)-2-(1-methylindol-3-yl)-4-oxo-butanoate CAS Name: (2S)-4-(4-tert-butylphenyl)-2-(1-methyl-3-indolyl)-4-oxobutanoate IUPAC Name: (2S)-4-(4-tert-butylphenyl)-2-(1-methylindol-3-yl)-4-oxobutanoate Traditional Name: (2S)-4-(4-tert-butylphenyl)-4-keto-2-(1-methylindol-3-yl)butyrate Formula: C23H24NO3- MolecularWeight: 362.44156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-23(2,3)16-11-9-15(10-12-16)21(25)13-18(22(26)27)19-14-24(4)20-8-6-5-7-17(19)20/h5-12,14,18H,13H2,1-4H3,(H,26,27)/p-1/t18-/m0/s1