methyl 3-(2-methoxyethanoylamino)-1-methyl-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(2-methoxyethanoylamino)-1-methyl-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(1,5-dimethylhex-4-enylamino)-3-[(2-methoxyacetyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-methoxy-1-oxoethyl)amino]-1-methyl-5-(6-methylhept-5-en-2-ylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methoxyacetyl)amino]-1-methyl-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(1,5-dimethylhex-4-enylamino)-3-[(2-methoxyacetyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)COC

Isomeric SMILES

CC(CCC=C(C)C)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)COC

InChI

InChI=1S/C21H30N4O4/c1-13(2)8-7-9-14(3)23-15-10-16-18(24-17(26)12-28-5)19(21(27)29-6)25(4)20(16)22-11-15/h8,10-11,14,23H,7,9,12H2,1-6H3,(H,24,26)