methyl 3-acetamido-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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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)OCCO4)C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC4=C(C=C3)OCCO4)C)C(=O)OC

InChI

InChI=1S/C21H22N4O5/c1-12(26)24-18-15-9-14(11-23-20(15)25(2)19(18)21(27)28-3)22-10-13-4-5-16-17(8-13)30-7-6-29-16/h4-5,8-9,11,22H,6-7,10H2,1-3H3,(H,24,26)