(3-methoxyphenyl)-[(3S)-1-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]methanone Openeye Name: [(3S)-1-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-3-piperidinyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]-(3-methoxyphenyl)methanone Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC)O

InChI

InChI=1S/C25H27NO4/c1-25(2,29)13-12-18-7-4-9-20(15-18)24(28)26-14-6-10-21(17-26)23(27)19-8-5-11-22(16-19)30-3/h4-5,7-9,11,15-16,21,29H,6,10,14,17H2,1-3H3/t21-/m0/s1