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

Systemtic Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(2-furylmethyl)-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-furanylmethyl)-5-(2-methylbutylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(2-furfuryl)-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C)CNC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-4-17(2)14-27-19-13-21-22(29-25(31)18-9-6-5-7-10-18)23(26(32)33-3)30(24(21)28-15-19)16-20-11-8-12-34-20/h5-13,15,17,27H,4,14,16H2,1-3H3,(H,29,31)