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

Systemtic Name: 1-[2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-piperidin-1-yl]prop-2-yn-1-one Openeye Name: 1-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-1-piperidyl]prop-2-yn-1-one CAS Name: 1-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-piperidinyl]-2-propyn-1-one IUPAC Name: 1-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]piperidin-1-yl]prop-2-yn-1-one Traditional Name: 1-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-piperidino]prop-2-yn-1-one Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO3/c1-5-7-8-9-13-23(3,4)17-10-11-19(21(26)15-17)20-16-18(25)12-14-24(20)22(27)6-2/h2,10-11,15,18,20,25-26H,5,7-9,12-14,16H2,1,3-4H3