O2-methyl O6-(phenylmethyl) 9-cyano-4-(2,2-dimethylpropanoyloxy)-3,9-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate

Systemtic Name: O2-methyl O6-(phenylmethyl) 9-cyano-4-(2,2-dimethylpropanoyloxy)-3,9-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate Openeye Name: O6-benzyl O2-methyl 9-cyano-4-(2,2-dimethylpropanoyloxy)-3,9-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate CAS Name: 9-cyano-4-(2,2-dimethyl-1-oxopropoxy)-3,9-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylic acid O2-methyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 2-O-methyl 9-cyano-4-(2,2-dimethylpropanoyloxy)-3,9-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate Traditional Name: 9-cyano-4-pivaloyloxy-3,9-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylic acid O6-benzyl ester O2-methyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C2C(=C3C(C=CN(C3=C1)C(=O)OCC4=CC=CC=C4)C#N)C=C(N2)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C2C(=C3C(C=CN(C3=C1)C(=O)OCC4=CC=CC=C4)C#N)C=C(N2)C(=O)OC

InChI

InChI=1S/C27H25N3O6/c1-27(2,3)25(32)36-21-13-20-22(18-12-19(24(31)34-4)29-23(18)21)17(14-28)10-11-30(20)26(33)35-15-16-8-6-5-7-9-16/h5-13,17,29H,15H2,1-4H3