ethyl 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)furan-2-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-furanyl]-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-furoyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(O2)C#CC(C)(C)O)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(O2)C#CC(C)(C)O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H33NO5/c1-4-32-25(30)27(15-8-11-21-9-6-5-7-10-21)17-19-28(20-18-27)24(29)23-13-12-22(33-23)14-16-26(2,3)31/h5-7,9-10,12-13,31H,4,8,11,15,17-20H2,1-3H3