[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 1-hydroxynaphthalene-2-carboxylate CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate Traditional Name: 1-hydroxynaphthalene-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C21H22N2O4/c1-14(19(25)23-21(13-22)11-5-2-6-12-21)27-20(26)17-10-9-15-7-3-4-8-16(15)18(17)24/h3-4,7-10,14,24H,2,5-6,11-12H2,1H3,(H,23,25)