methyl 1-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-(2-bromo-4,5-diethoxyphenyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H28BrNO5 MolecularWeight: 442.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)NC2(CCCCC2)C(=O)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)NC2(CCCCC2)C(=O)OC)Br)OCC

InChI

InChI=1S/C20H28BrNO5/c1-4-26-16-11-14(15(21)13-17(16)27-5-2)12-18(23)22-20(19(24)25-3)9-7-6-8-10-20/h11,13H,4-10,12H2,1-3H3,(H,22,23)