ethyl 2-methyl-4-[2-(3-methylbutanoylamino)phenyl]-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[2-(3-methylbutanoylamino)phenyl]-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[2-(3-methylbutanoylamino)phenyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate CAS Name: 2-methyl-4-[2-[(3-methyl-1-oxobutyl)amino]phenyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[2-(3-methylbutanoylamino)phenyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[2-(isovalerylamino)phenyl]-5-keto-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3NC(=O)CC(C)C)C(=O)OC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3NC(=O)CC(C)C)C(=O)OC2)C

InChI

InChI=1S/C22H26N2O5/c1-5-28-21(26)18-13(4)23-16-11-29-22(27)20(16)19(18)14-8-6-7-9-15(14)24-17(25)10-12(2)3/h6-9,12,19,23H,5,10-11H2,1-4H3,(H,24,25)