[1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C27H33NO3/c1-20(2)31-25-9-5-7-23(17-25)26(29)24-8-6-16-28(19-24)18-22-12-10-21(11-13-22)14-15-27(3,4)30/h5,7,9-13,17,20,24,30H,6,8,16,18-19H2,1-4H3