methyl 3-bromanyl-4-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2(CCCCC2)C#N)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2(CCCCC2)C#N)Br

InChI

InChI=1S/C17H19BrN2O4/c1-23-16(22)12-5-6-14(13(18)9-12)24-10-15(21)20-17(11-19)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21)