ethyl 6-butyl-7-(4-methoxyphenyl)-3-oxidanyl-5-oxidanylidene-2-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: ethyl 6-butyl-7-(4-methoxyphenyl)-3-oxidanyl-5-oxidanylidene-2-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridine-4-carboxylate Openeye Name: ethyl 2-benzyl-6-butyl-3-hydroxy-7-(4-methoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-butyl-3-hydroxy-7-(4-methoxyphenyl)-5-oxo-2-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-6-butyl-3-hydroxy-7-(4-methoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-4-carboxylate Traditional Name: 2-benzyl-6-butyl-3-hydroxy-5-keto-7-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridine-4-carboxylic acid ethyl ester Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=NC(=C(C(=C2C1=O)C(=O)OCC)O)CC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(C2=NC(=C(C(=C2C1=O)C(=O)OCC)O)CC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H30N2O5/c1-4-6-16-30-25(19-12-14-20(34-3)15-13-19)24-22(27(30)32)23(28(33)35-5-2)26(31)21(29-24)17-18-10-8-7-9-11-18/h7-15,25,31H,4-6,16-17H2,1-3H3