ethyl 6-bromanyl-4-(1-methoxycarbonylcyclohexyl)-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(1-methoxycarbonylcyclohexyl)-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: ethyl 6-bromo-4-(1-methoxycarbonylcyclohexyl)-2-oxo-chromane-3-carboxylate CAS Name: 6-bromo-4-(1-methoxycarbonylcyclohexyl)-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(1-methoxycarbonylcyclohexyl)-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: 6-bromo-4-(1-carbomethoxycyclohexyl)-2-keto-chroman-3-carboxylic acid ethyl ester Formula: C20H23BrO6 MolecularWeight: 439.29702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(C=CC(=C2)Br)OC1=O)C3(CCCCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1C(C2=C(C=CC(=C2)Br)OC1=O)C3(CCCCC3)C(=O)OC

InChI

InChI=1S/C20H23BrO6/c1-3-26-17(22)15-16(20(19(24)25-2)9-5-4-6-10-20)13-11-12(21)7-8-14(13)27-18(15)23/h7-8,11,15-16H,3-6,9-10H2,1-2H3