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

Systemtic Name: 7-[1-[4-(2-methyl-3-oxidanyl-octan-2-yl)phenyl]-6-oxidanylidene-piperidin-2-yl]heptanoic acid Openeye Name: 7-[1-[4-(2-hydroxy-1,1-dimethyl-heptyl)phenyl]-6-oxo-2-piperidyl]heptanoic acid CAS Name: 7-[1-[4-(3-hydroxy-2-methyloctan-2-yl)phenyl]-6-oxo-2-piperidinyl]heptanoic acid IUPAC Name: 7-[1-[4-(3-hydroxy-2-methyloctan-2-yl)phenyl]-6-oxopiperidin-2-yl]heptanoic acid Traditional Name: 7-[1-[4-(2-hydroxy-1,1-dimethyl-heptyl)phenyl]-6-keto-2-piperidyl]enanthic acid Formula: C27H43NO4 MolecularWeight: 445.63462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO4/c1-4-5-8-14-24(29)27(2,3)21-17-19-23(20-18-21)28-22(13-11-15-25(28)30)12-9-6-7-10-16-26(31)32/h17-20,22,24,29H,4-16H2,1-3H3,(H,31,32)