[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H22N2O3/c23-14-22(11-2-1-3-12-22)24-19(25)13-27-21(26)18-10-9-16-8-7-15-5-4-6-17(18)20(15)16/h4-6,9-10H,1-3,7-8,11-13H2,(H,24,25)