cyclohexyl 4-(3-bromanyl-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl 4-(3-bromanyl-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl 4-(3-bromo-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-bromo-4-methoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-7-keto-2,5,5-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C26H32BrNO4 MolecularWeight: 502.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC4CCCCC4

InChI

InChI=1S/C26H32BrNO4/c1-15-22(25(30)32-18-8-6-5-7-9-18)23(16-10-11-21(31-4)19(27)12-16)24-20(28-15)13-17(29)14-26(24,2)3/h10-12,18,23,28H,5-9,13-14H2,1-4H3