2-[3,3-dimethyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-pyridin-4-yl-indol-4-yl]octanoic acid

Systemtic Name: 2-[3,3-dimethyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-pyridin-4-yl-indol-4-yl]octanoic acid Openeye Name: 2-[5-(2-hydroxy-1-methyl-2-oxo-ethyl)-3,3-dimethyl-2-(4-pyridyl)indol-4-yl]octanoic acid CAS Name: 2-[5-(1-hydroxy-1-oxopropan-2-yl)-3,3-dimethyl-2-pyridin-4-yl-4-indolyl]octanoic acid IUPAC Name: 2-[5-(1-hydroxy-1-oxopropan-2-yl)-3,3-dimethyl-2-pyridin-4-ylindol-4-yl]octanoic acid Traditional Name: 2-[5-(2-hydroxy-2-keto-1-methyl-ethyl)-3,3-dimethyl-2-(4-pyridyl)indol-4-yl]caprylic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=C(C=CC2=C1C(C(=N2)C3=CC=NC=C3)(C)C)C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C1=C(C=CC2=C1C(C(=N2)C3=CC=NC=C3)(C)C)C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C26H32N2O4/c1-5-6-7-8-9-19(25(31)32)21-18(16(2)24(29)30)10-11-20-22(21)26(3,4)23(28-20)17-12-14-27-15-13-17/h10-16,19H,5-9H2,1-4H3,(H,29,30)(H,31,32)