ethyl 1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]isonipecotic acid ethyl ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C#CC(C)(C)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C#CC(C)(C)O)CC3=CC=CC=C3

InChI

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