methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(4-oxidanylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(4-oxidanylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(2-furylmethyl)-5-[(3-hydroxy-1-methyl-propyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-furanylmethyl)-5-(4-hydroxybutan-2-ylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(4-hydroxybutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(2-furfuryl)-5-[(3-hydroxy-1-methyl-propyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O5/c1-16(10-11-30)27-18-13-20-21(28-24(31)17-7-4-3-5-8-17)22(25(32)33-2)29(23(20)26-14-18)15-19-9-6-12-34-19/h3-9,12-14,16,27,30H,10-11,15H2,1-2H3,(H,28,31)