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

Systemtic Name: methyl 3-benzamido-5-(butan-2-ylamino)-1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(2-furylmethyl)-5-(sec-butylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(butan-2-ylamino)-1-(2-furanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(butan-2-ylamino)-1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(2-furfuryl)-5-(sec-butylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C)NC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O4/c1-4-16(2)27-18-13-20-21(28-24(30)17-9-6-5-7-10-17)22(25(31)32-3)29(23(20)26-14-18)15-19-11-8-12-33-19/h5-14,16,27H,4,15H2,1-3H3,(H,28,30)