ethyl 1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl 1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-3-phenethyl-piperidine-3-carboxylate CAS Name: 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]-3-phenethylpiperidine-3-carboxylate Traditional Name: 1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-3-phenethyl-nipecotic acid ethyl ester Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=C(S2)C#CC(C)(C)O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=C(S2)C#CC(C)(C)O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H33NO3S/c1-4-30-24(28)26(17-13-21-9-6-5-7-10-21)15-8-18-27(20-26)19-23-12-11-22(31-23)14-16-25(2,3)29/h5-7,9-12,29H,4,8,13,15,17-20H2,1-3H3