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

Systemtic Name: methyl 5-(2-methylpropylamino)-3-(oxolan-2-ylcarbonylamino)-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(isobutylamino)-1-(3-phenylpropyl)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(2-methylpropylamino)-3-[[oxo(2-oxolanyl)methyl]amino]-1-(3-phenylpropyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-methylpropylamino)-3-(oxolane-2-carbonylamino)-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(isobutylamino)-1-(3-phenylpropyl)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4/c1-18(2)16-28-20-15-21-23(30-26(32)22-12-8-14-35-22)24(27(33)34-3)31(25(21)29-17-20)13-7-11-19-9-5-4-6-10-19/h4-6,9-10,15,17-18,22,28H,7-8,11-14,16H2,1-3H3,(H,30,32)