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

Systemtic Name: cyclohexyl (4R,7R)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,7R)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C30H32BrNO4 MolecularWeight: 550.48338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32BrNO4/c1-18-27(30(34)36-22-11-7-4-8-12-22)28(20-13-14-26(35-2)23(31)15-20)29-24(32-18)16-21(17-25(29)33)19-9-5-3-6-10-19/h3,5-6,9-10,13-15,21-22,27-28H,4,7-8,11-12,16-17H2,1-2H3/t21-,27?,28+/m1/s1