[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O4/c1-3-5-9-18(4-2)16-24-21(27)17-30-22(28)19-12-14-26(15-13-19)23(29)25-20-10-7-6-8-11-20/h6-8,10-11,18-19H,3-5,9,12-17H2,1-2H3,(H,24,27)(H,25,29)/t18-/m0/s1