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

Systemtic Name: methyl 3-benzamido-5-(2,2-dimethylpropylamino)-1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(2,2-dimethylpropylamino)-1-(2-furylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(2,2-dimethylpropylamino)-1-(2-furanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(2,2-dimethylpropylamino)-1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(2-furfuryl)-5-(neopentylamino)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)(C)CNC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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