7-[1-[4-(5,5-dimethyl-1-oxidanyl-hexyl)phenyl]-6-oxidanylidene-piperidin-2-yl]hept-5-ynoic acid

Systemtic Name: 7-[1-[4-(5,5-dimethyl-1-oxidanyl-hexyl)phenyl]-6-oxidanylidene-piperidin-2-yl]hept-5-ynoic acid Openeye Name: 7-[1-[4-(1-hydroxy-5,5-dimethyl-hexyl)phenyl]-6-oxo-2-piperidyl]hept-5-ynoic acid CAS Name: 7-[1-[4-(1-hydroxy-5,5-dimethylhexyl)phenyl]-6-oxo-2-piperidinyl]-5-heptynoic acid IUPAC Name: 7-[1-[4-(1-hydroxy-5,5-dimethylhexyl)phenyl]-6-oxopiperidin-2-yl]hept-5-ynoic acid Traditional Name: 7-[1-[4-(1-hydroxy-5,5-dimethyl-hexyl)phenyl]-6-keto-2-piperidyl]hept-5-ynoic acid Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(C1=CC=C(C=C1)N2C(CCCC2=O)CC#CCCCC(=O)O)O

Isomeric SMILES

CC(C)(C)CCCC(C1=CC=C(C=C1)N2C(CCCC2=O)CC#CCCCC(=O)O)O

InChI

InChI=1S/C26H37NO4/c1-26(2,3)19-9-12-23(28)20-15-17-22(18-16-20)27-21(11-8-13-24(27)29)10-6-4-5-7-14-25(30)31/h15-18,21,23,28H,5,7-14,19H2,1-3H3,(H,30,31)