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

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-isopentyl-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(3-methylbutyl)-5-(2-methylbutylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-isoamyl-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CN=C2C(=C1)C(=C(N2CCC(C)C)C(=O)OC)NC(=O)C

Isomeric SMILES

CCC(C)CNC1=CN=C2C(=C1)C(=C(N2CCC(C)C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H32N4O3/c1-7-14(4)11-22-16-10-17-18(24-15(5)26)19(21(27)28-6)25(9-8-13(2)3)20(17)23-12-16/h10,12-14,22H,7-9,11H2,1-6H3,(H,24,26)