[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5/c1-26-16-6-4-13(20)10-14(16)15(23)5-7-18(25)27-11-17(24)22-19(12-21)8-2-3-9-19/h4,6,10H,2-3,5,7-9,11H2,1H3,(H,22,24)