4-[(4R,7S)-3-cyclohexyloxycarbonyl-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R,7S)-3-cyclohexyloxycarbonyl-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R,7S)-3-(cyclohexoxycarbonyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R,7S)-3-[cyclohexyloxy(oxo)methyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R,7S)-3-cyclohexyloxycarbonyl-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R,7S)-3-(cyclohexoxycarbonyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate Formula: C29H29N2O6- MolecularWeight: 501.55036

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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(=C(C=C4)[O-])[N+](=O)[O-])C(=O)OC5CCCCC5

Isomeric SMILES

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

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/h2,4-5,8-9,12-13,15,20-21,27,30,32H,3,6-7,10-11,14,16H2,1H3/p-1/t20-,27-/m0/s1