[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C17H19BrN2O5/c1-23-12-7-11(8-13(24-2)15(12)18)16(22)25-9-14(21)20-17(10-19)5-3-4-6-17/h7-8H,3-6,9H2,1-2H3,(H,20,21)