methyl 3-acetamido-1-(3-methylbutyl)-5-(oxan-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(oxan-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-isopentyl-5-(tetrahydropyran-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(3-methylbutyl)-5-(4-oxanylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(oxan-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-isoamyl-5-(tetrahydropyran-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC3CCOCC3)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC3CCOCC3)NC(=O)C)C(=O)OC

InChI

InChI=1S/C21H30N4O4/c1-13(2)5-8-25-19(21(27)28-4)18(23-14(3)26)17-11-16(12-22-20(17)25)24-15-6-9-29-10-7-15/h11-13,15,24H,5-10H2,1-4H3,(H,23,26)