[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C20H25ClN2O5/c1-4-27-17-15(21)10-14(11-16(17)26-3)19(25)28-13(2)18(24)23-20(12-22)8-6-5-7-9-20/h10-11,13H,4-9H2,1-3H3,(H,23,24)