7-[1-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-6-oxidanylidene-piperidin-2-yl]heptanoic acid

Systemtic Name: 7-[1-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-6-oxidanylidene-piperidin-2-yl]heptanoic acid Openeye Name: 7-[1-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-6-oxo-2-piperidyl]heptanoic acid CAS Name: 7-[1-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-6-oxo-2-piperidinyl]heptanoic acid IUPAC Name: 7-[1-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-6-oxopiperidin-2-yl]heptanoic acid Traditional Name: 7-[1-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-6-keto-2-piperidyl]enanthic acid Formula: C26H41NO4 MolecularWeight: 431.60804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)CCCCCCC(=O)O)O

Isomeric SMILES

CCCCC(C(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)CCCCCCC(=O)O)O

InChI

InChI=1S/C26H41NO4/c1-4-5-13-23(28)26(2,3)20-16-18-22(19-17-20)27-21(12-10-14-24(27)29)11-8-6-7-9-15-25(30)31/h16-19,21,23,28H,4-15H2,1-3H3,(H,30,31)