[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H24N2O5/c1-14(18(23)22-20(13-21)8-3-2-4-9-20)27-19(24)15-6-7-16-17(12-15)26-11-5-10-25-16/h6-7,12,14H,2-5,8-11H2,1H3,(H,22,23)