cyclohexyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclohexyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C26H30BrNO5 MolecularWeight: 516.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC3CCCCC3)C4=CC5=C(C=C4Br)OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC3CCCCC3)C4=CC5=C(C=C4Br)OCO5)C(=O)C1)C

InChI

InChI=1S/C26H30BrNO5/c1-14-22(25(30)33-15-7-5-4-6-8-15)23(16-9-20-21(10-17(16)27)32-13-31-20)24-18(28-14)11-26(2,3)12-19(24)29/h9-10,15,22-23,28H,1,4-8,11-13H2,2-3H3