cyclopentyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 4-(2-bromo-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C26H32BrNO5 MolecularWeight: 518.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3Br)OC)OC)C(=O)OC4CCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3Br)OC)OC)C(=O)OC4CCCC4

InChI

InChI=1S/C26H32BrNO5/c1-14-22(25(30)33-15-8-6-7-9-15)23(16-10-20(31-4)21(32-5)11-17(16)27)24-18(28-14)12-26(2,3)13-19(24)29/h10-12,15,23-24,28H,6-9,13H2,1-5H3