cyclohexyl (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4R,7S)-4-(3-bromophenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C29H30BrNO3 MolecularWeight: 520.4574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)OC5CCCCC5

InChI

InChI=1S/C29H30BrNO3/c1-18-26(29(33)34-23-13-6-3-7-14-23)27(20-11-8-12-22(30)15-20)28-24(31-18)16-21(17-25(28)32)19-9-4-2-5-10-19/h2,4-5,8-12,15,21,23,27,31H,3,6-7,13-14,16-17H2,1H3/t21-,27-/m0/s1