[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(2-oxidanylidenepiperidin-1-yl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(2-oxidanylidenepiperidin-1-yl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-(2-oxo-1-piperidyl)benzoate CAS Name: 4-(2-oxo-1-piperidinyl)benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate Traditional Name: 4-(2-ketopiperidino)benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=C(C=C1)N2CCCCC2=O)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=C(C=C1)N2CCCCC2=O)C3(CCCCC3)C#N

InChI

InChI=1S/C22H27N3O4/c1-24(22(16-23)12-4-2-5-13-22)20(27)15-29-21(28)17-8-10-18(11-9-17)25-14-6-3-7-19(25)26/h8-11H,2-7,12-15H2,1H3