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

Systemtic Name: methyl 3-benzamido-5-(1,3-benzodioxol-5-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(1,3-benzodioxol-5-ylmethylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(1,3-benzodioxol-5-ylmethylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(1,3-benzodioxol-5-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(piperonylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H28N4O6 MolecularWeight: 528.55582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CC5=C(C=C4)OCO5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CC5=C(C=C4)OCO5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H28N4O6/c1-36-29(35)26-25(32-28(34)19-6-3-2-4-7-19)22-13-20(15-31-27(22)33(26)16-21-8-5-11-37-21)30-14-18-9-10-23-24(12-18)39-17-38-23/h2-4,6-7,9-10,12-13,15,21,30H,5,8,11,14,16-17H2,1H3,(H,32,34)