[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3,5-dichloro-4-methoxy-benzoate CAS Name: 3,5-dichloro-4-methoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate Traditional Name: 3,5-dichloro-4-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H18Cl2N2O4 MolecularWeight: 385.24182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2(CCCCC2)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2(CCCCC2)C#N)Cl

InChI

InChI=1S/C17H18Cl2N2O4/c1-24-15-12(18)7-11(8-13(15)19)16(23)25-9-14(22)21-17(10-20)5-3-2-4-6-17/h7-8H,2-6,9H2,1H3,(H,21,22)