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

Systemtic Name: methyl 3-benzamido-5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(2,3-dihydrobenzofuran-5-ylmethylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(2,3-dihydrobenzofuran-5-ylmethylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(coumaran-5-ylmethylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C30H30N4O5 MolecularWeight: 526.583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CC5=C(C=C4)OCC5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CC5=C(C=C4)OCC5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H30N4O5/c1-37-30(36)27-26(33-29(35)20-6-3-2-4-7-20)24-15-22(17-32-28(24)34(27)18-23-8-5-12-38-23)31-16-19-9-10-25-21(14-19)11-13-39-25/h2-4,6-7,9-10,14-15,17,23,31H,5,8,11-13,16,18H2,1H3,(H,33,35)