methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(pentan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(pentan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(1-ethylpropylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(2-oxolanylmethyl)-5-(pentan-3-ylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(pentan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(1-ethylpropylamino)-1-(tetrahydrofurfuryl)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:

CCC(CC)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C

Isomeric SMILES

CCC(CC)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C

InChI

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