methyl 5-[(1-methylbenzimidazol-2-yl)methylamino]-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-[(1-methylbenzimidazol-2-yl)methylamino]-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-methylbenzimidazol-2-yl)methylamino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(1-methyl-2-benzimidazolyl)methylamino]-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-methylbenzimidazol-2-yl)methylamino]-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(1-methylbenzimidazol-2-yl)methylamino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C31H32N6O4 MolecularWeight: 552.62358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC3=CN=C4C(=C3)C(=C(N4CCC5=CC=CC=C5)C(=O)OC)NC(=O)C6CCCO6

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC3=CN=C4C(=C3)C(=C(N4CCC5=CC=CC=C5)C(=O)OC)NC(=O)C6CCCO6

InChI

InChI=1S/C31H32N6O4/c1-36-24-12-7-6-11-23(24)34-26(36)19-32-21-17-22-27(35-30(38)25-13-8-16-41-25)28(31(39)40-2)37(29(22)33-18-21)15-14-20-9-4-3-5-10-20/h3-7,9-12,17-18,25,32H,8,13-16,19H2,1-2H3,(H,35,38)