methyl 3-benzamido-5-[(1-ethanoylpiperidin-4-yl)amino]-1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-5-[(1-ethanoylpiperidin-4-yl)amino]-1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-acetyl-4-piperidyl)amino]-3-benzamido-1-(2-furylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(1-acetyl-4-piperidinyl)amino]-3-benzamido-1-(2-furanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-acetylpiperidin-4-yl)amino]-3-benzamido-1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(1-acetyl-4-piperidyl)amino]-3-benzamido-1-(2-furfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H29N5O5 MolecularWeight: 515.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)NC2=CN=C3C(=C2)C(=C(N3CC4=CC=CO4)C(=O)OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCC(CC1)NC2=CN=C3C(=C2)C(=C(N3CC4=CC=CO4)C(=O)OC)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O5/c1-18(34)32-12-10-20(11-13-32)30-21-15-23-24(31-27(35)19-7-4-3-5-8-19)25(28(36)37-2)33(26(23)29-16-21)17-22-9-6-14-38-22/h3-9,14-16,20,30H,10-13,17H2,1-2H3,(H,31,35)