methyl 3-acetamido-5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(2,3-dihydrobenzofuran-5-ylmethylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(2,3-dihydrobenzofuran-5-ylmethylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(coumaran-5-ylmethylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC4=C(C=C3)OCC4)CC5CCCO5)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC4=C(C=C3)OCC4)CC5CCCO5)C(=O)OC

InChI

InChI=1S/C25H28N4O5/c1-15(30)28-22-20-11-18(26-12-16-5-6-21-17(10-16)7-9-34-21)13-27-24(20)29(23(22)25(31)32-2)14-19-4-3-8-33-19/h5-6,10-11,13,19,26H,3-4,7-9,12,14H2,1-2H3,(H,28,30)