[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C17H19ClN2O4/c1-23-14-6-5-12(18)9-13(14)16(22)24-10-15(21)20-17(11-19)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21)