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

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

CC(C)CCNC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCNC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-17(2)11-12-27-19-14-21-22(29-25(31)18-8-5-4-6-9-18)23(26(32)33-3)30(24(21)28-15-19)16-20-10-7-13-34-20/h4-10,13-15,17,27H,11-12,16H2,1-3H3,(H,29,31)