methyl 5-(2,2-dimethylpropylamino)-3-(oxolan-2-ylcarbonylamino)-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(2,2-dimethylpropylamino)-3-(oxolan-2-ylcarbonylamino)-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(2,2-dimethylpropylamino)-1-(3-phenylpropyl)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(2,2-dimethylpropylamino)-3-[[oxo(2-oxolanyl)methyl]amino]-1-(3-phenylpropyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropylamino)-3-(oxolane-2-carbonylamino)-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(neopentylamino)-1-(3-phenylpropyl)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=CN=C2C(=C1)C(=C(N2CCCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

Isomeric SMILES

CC(C)(C)CNC1=CN=C2C(=C1)C(=C(N2CCCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

InChI

InChI=1S/C28H36N4O4/c1-28(2,3)18-30-20-16-21-23(31-26(33)22-13-9-15-36-22)24(27(34)35-4)32(25(21)29-17-20)14-8-12-19-10-6-5-7-11-19/h5-7,10-11,16-17,22,30H,8-9,12-15,18H2,1-4H3,(H,31,33)