methyl 3-acetamido-5-[(4-acetamidophenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-[(4-acetamidophenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(4-acetamidophenyl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(4-acetamidophenyl)methylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(4-acetamidophenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(4-acetamidobenzyl)amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

InChI

InChI=1S/C25H29N5O5/c1-15(31)28-18-8-6-17(7-9-18)12-26-19-11-21-22(29-16(2)32)23(25(33)34-3)30(24(21)27-13-19)14-20-5-4-10-35-20/h6-9,11,13,20,26H,4-5,10,12,14H2,1-3H3,(H,28,31)(H,29,32)