ethyl 5-methyl-4-oxidanylidene-7-phenyl-1,6-bis(phenylmethyl)pyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-7-phenyl-1,6-bis(phenylmethyl)pyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 1,6-dibenzyl-5-methyl-4-oxo-7-phenyl-pyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 5-methyl-4-oxo-7-phenyl-1,6-bis(phenylmethyl)-3-pyrrolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1,6-dibenzyl-5-methyl-4-oxo-7-phenylpyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 1,6-dibenzyl-4-keto-5-methyl-7-phenyl-pyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(N(C(=C2C1=O)C)CC3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(N(C(=C2C1=O)C)CC3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O3/c1-3-36-31(35)26-21-32(19-23-13-7-4-8-14-23)29-27(30(26)34)22(2)33(20-24-15-9-5-10-16-24)28(29)25-17-11-6-12-18-25/h4-18,21H,3,19-20H2,1-2H3