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

Systemtic Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(propylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(propylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-oxolanylmethyl)-5-(propylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(propylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(propylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCNC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O4/c1-3-11-25-17-13-19-20(27-23(29)16-8-5-4-6-9-16)21(24(30)31-2)28(22(19)26-14-17)15-18-10-7-12-32-18/h4-6,8-9,13-14,18,25H,3,7,10-12,15H2,1-2H3,(H,27,29)