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

Systemtic Name: methyl 5-[(1-methylbenzimidazol-2-yl)methylamino]-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-methylbenzimidazol-2-yl)methylamino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(1-methyl-2-benzimidazolyl)methylamino]-3-[[oxo(3-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-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(1-methylbenzimidazol-2-yl)methylamino]-1-phenethyl-3-(tetrahydrofuran-3-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)C6CCOC6

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC3=CN=C4C(=C3)C(=C(N4CCC5=CC=CC=C5)C(=O)OC)NC(=O)C6CCOC6

InChI

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