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

Systemtic Name: ethyl 1-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[5-[(2R)-tetrahydropyran-2-yl]-2-thienyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-[(2R)-2-oxanyl]-2-thiophenyl]methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[[5-[(2R)-tetrahydropyran-2-yl]-2-thienyl]methyl]isonipecotic acid ethyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(S2)C3CCCCO3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(S2)[C@H]3CCCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33NO3S/c1-2-28-24(27)25(18-20-8-4-3-5-9-20)13-15-26(16-14-25)19-21-11-12-23(30-21)22-10-6-7-17-29-22/h3-5,8-9,11-12,22H,2,6-7,10,13-19H2,1H3/t22-/m1/s1