methyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-7-(4-chlorophenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C25H23BrClNO5 MolecularWeight: 532.81082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC

InChI

InChI=1S/C25H23BrClNO5/c1-12-21(25(31)33-3)22(15-8-17(26)24(30)20(11-15)32-2)23-18(28-12)9-14(10-19(23)29)13-4-6-16(27)7-5-13/h4-9,11,14,22-23,28,30H,10H2,1-3H3