methyl 6-[(4-bromophenyl)methyl]-7-butyl-5-oxidanylidene-pyrrolo[3,4-b]pyridine-7-carboxylate

Systemtic Name: methyl 6-[(4-bromophenyl)methyl]-7-butyl-5-oxidanylidene-pyrrolo[3,4-b]pyridine-7-carboxylate Openeye Name: methyl 6-[(4-bromophenyl)methyl]-7-butyl-5-oxo-pyrrolo[3,4-b]pyridine-7-carboxylate CAS Name: 6-[(4-bromophenyl)methyl]-7-butyl-5-oxo-7-pyrrolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-bromophenyl)methyl]-7-butyl-5-oxopyrrolo[3,4-b]pyridine-7-carboxylate Traditional Name: 6-(4-bromobenzyl)-7-butyl-5-keto-pyrrolo[3,4-b]pyridine-7-carboxylic acid methyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C=CC=N2)C(=O)N1CC3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCCC1(C2=C(C=CC=N2)C(=O)N1CC3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H21BrN2O3/c1-3-4-11-20(19(25)26-2)17-16(6-5-12-22-17)18(24)23(20)13-14-7-9-15(21)10-8-14/h5-10,12H,3-4,11,13H2,1-2H3