2-methoxyethyl (4S,7R)-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-methoxyethyl (4S,7R)-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: 2-methoxyethyl (4S,7R)-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: (4S,7R)-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-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S,7R)-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: (4S,7R)-5-keto-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C27H26N2O8 MolecularWeight: 506.50394

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N2O8/c1-15-24(27(31)35-9-8-34-2)25(18-12-22-23(37-14-36-22)13-20(18)29(32)33)26-19(28-15)10-17(11-21(26)30)16-6-4-3-5-7-16/h3-7,12-13,17,24-25H,8-11,14H2,1-2H3/t17-,24?,25-/m1/s1