(4-tert-butylphenyl)-[1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]methanone CAS Name: (4-tert-butylphenyl)-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-3-piperidinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]methanone Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C28H33NO3/c1-27(2,3)24-14-12-21(13-15-24)25(30)23-7-6-18-29(19-23)26(31)22-10-8-20(9-11-22)16-17-28(4,5)32/h8-15,23,32H,6-7,18-19H2,1-5H3