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

Systemtic Name: cyclohexyl (4S,7R)-2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4S,7R)-4-(4-hydroxy-3-nitro-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-hydroxy-3-nitrophenyl)-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-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-hydroxy-3-nitro-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O6/c1-17-26(29(34)37-21-10-6-3-7-11-21)27(19-12-13-24(32)23(15-19)31(35)36)28-22(30-17)14-20(16-25(28)33)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,15,20-21,26-27,32H,3,6-7,10-11,14,16H2,1H3/t20-,26?,27-/m1/s1