8-[3-methyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-pyridin-4-yl-indol-1-yl]octanoic acid

Systemtic Name: 8-[3-methyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-pyridin-4-yl-indol-1-yl]octanoic acid Openeye Name: 8-[5-(2-hydroxy-1-methyl-2-oxo-ethyl)-3-methyl-2-(4-pyridyl)indol-1-yl]octanoic acid CAS Name: 8-[5-(1-hydroxy-1-oxopropan-2-yl)-3-methyl-2-pyridin-4-yl-1-indolyl]octanoic acid IUPAC Name: 8-[5-(1-hydroxy-1-oxopropan-2-yl)-3-methyl-2-pyridin-4-ylindol-1-yl]octanoic acid Traditional Name: 8-[5-(2-hydroxy-2-keto-1-methyl-ethyl)-3-methyl-2-(4-pyridyl)indol-1-yl]caprylic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(C)C(=O)O)CCCCCCCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(C)C(=O)O)CCCCCCCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C25H30N2O4/c1-17(25(30)31)20-9-10-22-21(16-20)18(2)24(19-11-13-26-14-12-19)27(22)15-7-5-3-4-6-8-23(28)29/h9-14,16-17H,3-8,15H2,1-2H3,(H,28,29)(H,30,31)