[(2S)-1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(4-ethoxycarbonyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2S)-1-(4-ethoxycarbonyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(1S)-2-(4-carbethoxypiperidino)-2-keto-1-methyl-ethyl] ester Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H34N2O6/c1-4-32-24(30)19-9-13-26(14-10-19)22(28)18(3)33-25(31)20-11-15-27(16-12-20)23(29)21-8-6-5-7-17(21)2/h5-8,18-20H,4,9-16H2,1-3H3/t18-/m0/s1