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

Systemtic Name: methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-(quinolin-5-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-5-(5-quinolylmethylamino)-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-5-(5-quinolinylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-3-carbonylamino)-1-phenethyl-5-(quinolin-5-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-5-(5-quinolylmethylamino)-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C32H31N5O4 MolecularWeight: 549.61964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=C5C=CC=NC5=CC=C4)NC(=O)C6CCOC6

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=C5C=CC=NC5=CC=C4)NC(=O)C6CCOC6

InChI

InChI=1S/C32H31N5O4/c1-40-32(39)29-28(36-31(38)23-13-16-41-20-23)26-17-24(34-18-22-9-5-11-27-25(22)10-6-14-33-27)19-35-30(26)37(29)15-12-21-7-3-2-4-8-21/h2-11,14,17,19,23,34H,12-13,15-16,18,20H2,1H3,(H,36,38)