[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O)C3(CCCCC3)C#N

InChI

InChI=1S/C21H22N2O5/c1-23(21(13-22)9-5-2-6-10-21)18(25)12-28-20(27)16-11-17(24)14-7-3-4-8-15(14)19(16)26/h3-4,7-8,11,24,26H,2,5-6,9-10,12H2,1H3