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

Systemtic Name: ethyl 1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-4-phenethyl-isonipecotic acid ethyl ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC(C)(C)O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC(C)(C)O)CCC3=CC=CC=C3

InChI

InChI=1S/C28H33NO4/c1-4-33-26(31)28(17-15-22-8-6-5-7-9-22)18-20-29(21-19-28)25(30)24-12-10-23(11-13-24)14-16-27(2,3)32/h5-13,32H,4,15,17-21H2,1-3H3