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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h5-13,16,20,26-27,30H,14-15H2,1-4H3