1-[2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-piperidin-1-yl]butan-1-one

Systemtic Name: 1-[2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-piperidin-1-yl]butan-1-one Openeye Name: 1-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-1-piperidyl]butan-1-one CAS Name: 1-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]piperidin-1-yl]butan-1-one Traditional Name: 1-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-piperidino]butan-1-one Formula: C24H39NO3 MolecularWeight: 389.57136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C(=O)CCC)O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C(=O)CCC)O)O

InChI

InChI=1S/C24H39NO3/c1-5-7-8-9-14-24(3,4)18-11-12-20(22(27)16-18)21-17-19(26)13-15-25(21)23(28)10-6-2/h11-12,16,19,21,26-27H,5-10,13-15,17H2,1-4H3