methyl (4S,7R)-4-(3-bromanyl-4-methyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: methyl (4S,7R)-4-(3-bromanyl-4-methyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(3-bromo-4-methyl-phenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3-bromo-4-methylphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-4-(3-bromo-4-methylphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-bromo-4-methyl-phenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C25H24BrNO3 MolecularWeight: 466.36696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OC)C)C[C@H](CC3=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H24BrNO3/c1-14-9-10-17(11-19(14)26)23-22(25(29)30-3)15(2)27-20-12-18(13-21(28)24(20)23)16-7-5-4-6-8-16/h4-11,18,23-24H,12-13H2,1-3H3/t18-,23+,24?/m1/s1