2-methylpropyl (4R,7S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl (4R,7S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4R,7S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R,7S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-5-keto-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCC(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)C[C@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O7/c1-15(2)13-35-28(32)25-16(3)29-20-9-18(17-7-5-4-6-8-17)10-22(31)27(20)26(25)19-11-23-24(37-14-36-23)12-21(19)30(33)34/h4-8,11-12,15,18,25-26H,9-10,13-14H2,1-3H3/t18-,25?,26-/m0/s1