methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-[(phenylmethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-[(phenylmethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(benzylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-oxolanylmethyl)-5-[(phenylmethyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(benzylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(benzylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4/c1-35-28(34)25-24(31-27(33)20-11-6-3-7-12-20)23-15-21(29-16-19-9-4-2-5-10-19)17-30-26(23)32(25)18-22-13-8-14-36-22/h2-7,9-12,15,17,22,29H,8,13-14,16,18H2,1H3,(H,31,33)