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

Systemtic Name: ethyl 1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]nipecotic acid ethyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=C(S2)C#CC(C)(C)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=C(S2)C#CC(C)(C)O)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO3S/c1-4-29-23(27)25(17-20-9-6-5-7-10-20)14-8-16-26(19-25)18-22-12-11-21(30-22)13-15-24(2,3)28/h5-7,9-12,28H,4,8,14,16-19H2,1-3H3