(2S,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (2S,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (2S,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2S,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxo-3-piperidinecarboxylate IUPAC Name: (2S,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2S,3R)-1-cyclohexyl-6-keto-2-p-phenetyl-nipecotate Formula: C20H26NO4- MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(CCC(=O)N2C3CCCCC3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2[C@@H](CCC(=O)N2C3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C20H27NO4/c1-2-25-16-10-8-14(9-11-16)19-17(20(23)24)12-13-18(22)21(19)15-6-4-3-5-7-15/h8-11,15,17,19H,2-7,12-13H2,1H3,(H,23,24)/p-1/t17-,19-/m1/s1