[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2(CCCC2)C#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2(CCCC2)C#N)OC

InChI

InChI=1S/C20H25ClN2O5/c1-13(2)10-27-18-15(21)8-14(9-16(18)26-3)19(25)28-11-17(24)23-20(12-22)6-4-5-7-20/h8-9,13H,4-7,10-11H2,1-3H3,(H,23,24)