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

Systemtic Name: cyclohexyl (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-bromophenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C29H30BrNO3 MolecularWeight: 520.4574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC=C(C=C4)Br)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCCC3)C4=CC=C(C=C4)Br)C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C29H30BrNO3/c1-18-26(29(33)34-23-10-6-3-7-11-23)27(20-12-14-22(30)15-13-20)28-24(31-18)16-21(17-25(28)32)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,21,23,26-27H,3,6-7,10-11,16-17H2,1H3/t21-,26?,27-/m1/s1