2-methylpropyl 4-(3-bromanyl-4-methoxy-phenyl)-2-methylidene-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 4-(3-bromanyl-4-methoxy-phenyl)-2-methylidene-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isobutyl 4-(3-bromo-4-methoxy-phenyl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3-bromo-4-methoxyphenyl)-2-methylidene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methylene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isobutyl ester Formula: C28H30BrNO4 MolecularWeight: 524.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C28H30BrNO4/c1-16(2)15-34-28(32)25-17(3)30-22-13-20(18-8-6-5-7-9-18)14-23(31)27(22)26(25)19-10-11-24(33-4)21(29)12-19/h5-12,16,20,25-26,30H,3,13-15H2,1-2,4H3