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

Systemtic Name: methyl 5-(3-methylbutylamino)-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(isopentylamino)-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(3-methylbutylamino)-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-methylbutylamino)-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(isoamylamino)-1-phenethyl-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)CCNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

Isomeric SMILES

CC(C)CCNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

InChI

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