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

Systemtic Name: methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(propylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-5-(propylamino)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-5-(propylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-2-carbonylamino)-1-phenethyl-5-(propylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-5-(propylamino)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

Isomeric SMILES

CCCNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

InChI

InChI=1S/C25H30N4O4/c1-3-12-26-18-15-19-21(28-24(30)20-10-7-14-33-20)22(25(31)32-2)29(23(19)27-16-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,15-16,20,26H,3,7,10-14H2,1-2H3,(H,28,30)