[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H21BrN2O5 MolecularWeight: 425.27374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NC2(CCCC2)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NC2(CCCC2)C#N)Br)OC

InChI

InChI=1S/C18H21BrN2O5/c1-24-14-7-12(13(19)9-15(14)25-2)8-17(23)26-10-16(22)21-18(11-20)5-3-4-6-18/h7,9H,3-6,8,10H2,1-2H3,(H,21,22)