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

Systemtic Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(2-furylmethyl)-5-[(3-hydroxyphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-furanylmethyl)-5-[(3-hydroxyphenyl)methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(2-furfuryl)-5-[(3-hydroxybenzyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H24N4O5 MolecularWeight: 496.51396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3=CC=CO3)NCC4=CC(=CC=C4)O)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3=CC=CO3)NCC4=CC(=CC=C4)O)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O5/c1-36-28(35)25-24(31-27(34)19-8-3-2-4-9-19)23-14-20(29-15-18-7-5-10-21(33)13-18)16-30-26(23)32(25)17-22-11-6-12-37-22/h2-14,16,29,33H,15,17H2,1H3,(H,31,34)