(2S)-4-(4-tert-butylphenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-tert-butylphenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-tert-butylphenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxo-butanoate CAS Name: (2S)-4-(4-tert-butylphenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxobutanoate IUPAC Name: (2S)-4-(4-tert-butylphenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxobutanoate Traditional Name: (2S)-4-(4-tert-butylphenyl)-2-(7-ethyl-1H-indol-3-yl)-4-keto-butyrate Formula: C24H26NO3- MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2[C@H](CC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C24H27NO3/c1-5-15-7-6-8-18-20(14-25-22(15)18)19(23(27)28)13-21(26)16-9-11-17(12-10-16)24(2,3)4/h6-12,14,19,25H,5,13H2,1-4H3,(H,27,28)/p-1/t19-/m0/s1