[3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone

Systemtic Name: [3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone Openeye Name: [3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-[3-(hydroxymethyl)-3-phenethyl-1-piperidyl]methanone CAS Name: [3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[3-(hydroxymethyl)-3-phenethyl-1-piperidinyl]methanone IUPAC Name: [3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[3-(hydroxymethyl)-3-phenethylpiperidin-1-yl]methanone Traditional Name: [3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-(3-methylol-3-phenethyl-piperidino)methanone Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CCCC(C2)(CCC3=CC=CC=C3)CO)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CCCC(C2)(CCC3=CC=CC=C3)CO)O

InChI

InChI=1S/C26H31NO3/c1-25(2,30)15-12-22-10-6-11-23(18-22)24(29)27-17-7-14-26(19-27,20-28)16-13-21-8-4-3-5-9-21/h3-6,8-11,18,28,30H,7,13-14,16-17,19-20H2,1-2H3