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

Systemtic Name: methyl 5-(butan-2-ylamino)-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-5-(sec-butylamino)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(butan-2-ylamino)-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(butan-2-ylamino)-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-5-(sec-butylamino)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

Isomeric SMILES

CCC(C)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

InChI

InChI=1S/C26H32N4O4/c1-4-17(2)28-19-15-20-22(29-25(31)21-11-8-14-34-21)23(26(32)33-3)30(24(20)27-16-19)13-12-18-9-6-5-7-10-18/h5-7,9-10,15-17,21,28H,4,8,11-14H2,1-3H3,(H,29,31)