propan-2-yl 4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl 4-(3-bromo-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC(C)C

InChI

InChI=1S/C23H28BrNO4/c1-12(2)29-22(27)19-13(3)25-16-10-23(4,5)11-17(26)21(16)20(19)14-7-8-18(28-6)15(24)9-14/h7-10,12,20-21,25H,11H2,1-6H3