methyl 5-(1-cyclohexylethylamino)-3-(2-methoxyethanoylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(1-cyclohexylethylamino)-3-(2-methoxyethanoylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(1-cyclohexylethylamino)-3-[(2-methoxyacetyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(1-cyclohexylethylamino)-3-[(2-methoxy-1-oxoethyl)amino]-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1-cyclohexylethylamino)-3-[(2-methoxyacetyl)amino]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(1-cyclohexylethylamino)-3-[(2-methoxyacetyl)amino]-1-methyl-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(C1CCCCC1)NC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)COC

Isomeric SMILES

CC(C1CCCCC1)NC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)COC

InChI

InChI=1S/C21H30N4O4/c1-13(14-8-6-5-7-9-14)23-15-10-16-18(24-17(26)12-28-3)19(21(27)29-4)25(2)20(16)22-11-15/h10-11,13-14,23H,5-9,12H2,1-4H3,(H,24,26)