[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)[C@H]1CC2=C(C=CC(=C2)Cl)OC1)C3(CCCCC3)C#N

InChI

InChI=1S/C20H23ClN2O4/c1-23(20(13-22)7-3-2-4-8-20)18(24)12-27-19(25)15-9-14-10-16(21)5-6-17(14)26-11-15/h5-6,10,15H,2-4,7-9,11-12H2,1H3/t15-/m0/s1