ethyl 4-(phenylmethyl)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(phenylmethyl)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl]piperidine-4-carboxylate CAS Name: 4-(phenylmethyl)-1-[[5-(1-pyrrolidinylmethyl)-2-thiophenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[[5-(pyrrolidinomethyl)-2-thienyl]methyl]isonipecotic acid ethyl ester Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(S2)CN3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(S2)CN3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N2O2S/c1-2-29-24(28)25(18-21-8-4-3-5-9-21)12-16-27(17-13-25)20-23-11-10-22(30-23)19-26-14-6-7-15-26/h3-5,8-11H,2,6-7,12-20H2,1H3