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

Systemtic Name: cyclopentyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C24H28BrNO3 MolecularWeight: 458.38802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrNO3/c1-14-20(23(28)29-15-8-4-5-9-15)21(16-10-6-7-11-17(16)25)22-18(26-14)12-24(2,3)13-19(22)27/h6-7,10-12,15,21-22,26H,4-5,8-9,13H2,1-3H3