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

Systemtic Name: methyl 5-(3-methylbutylamino)-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(isopentylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(3-methylbutylamino)-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-methylbutylamino)-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(isoamylamino)-1-phenethyl-3-(tetrahydrofuran-3-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)CCNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

Isomeric SMILES

CC(C)CCNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

InChI

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