cyclopentyl 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: cyclopentyl 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: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C25H28BrNO5 MolecularWeight: 502.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC3CCCC3)C4=CC5=C(C=C4Br)OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC3CCCC3)C4=CC5=C(C=C4Br)OCO5)C(=O)C1)C

InChI

InChI=1S/C25H28BrNO5/c1-13-21(24(29)32-14-6-4-5-7-14)22(15-8-19-20(9-16(15)26)31-12-30-19)23-17(27-13)10-25(2,3)11-18(23)28/h8-9,14,21-22,27H,1,4-7,10-12H2,2-3H3