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

Systemtic Name: (2S)-4-(4-cyclohexylphenyl)-2-(1-methylindol-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-cyclohexylphenyl)-2-(1-methylindol-3-yl)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-cyclohexylphenyl)-2-(1-methyl-3-indolyl)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-cyclohexylphenyl)-2-(1-methylindol-3-yl)-4-oxobutanoic acid Traditional Name: (2S)-4-(4-cyclohexylphenyl)-4-keto-2-(1-methylindol-3-yl)butyric acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC(=O)C3=CC=C(C=C3)C4CCCCC4)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)C3=CC=C(C=C3)C4CCCCC4)C(=O)O

InChI

InChI=1S/C25H27NO3/c1-26-16-22(20-9-5-6-10-23(20)26)21(25(28)29)15-24(27)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h5-6,9-14,16-17,21H,2-4,7-8,15H2,1H3,(H,28,29)/t21-/m0/s1