[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-methoxynaphthalene-1-carboxylate CAS Name: 4-methoxy-1-naphthalenecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate Traditional Name: 4-methoxynaphthalene-1-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

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