methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(pyridin-4-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(pyridin-4-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-5-(4-pyridylmethylamino)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-5-(pyridin-4-ylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-2-carbonylamino)-1-phenethyl-5-(pyridin-4-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-5-(4-pyridylmethylamino)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=NC=C4)NC(=O)C5CCCO5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=NC=C4)NC(=O)C5CCCO5

InChI

InChI=1S/C28H29N5O4/c1-36-28(35)25-24(32-27(34)23-8-5-15-37-23)22-16-21(30-17-20-9-12-29-13-10-20)18-31-26(22)33(25)14-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-13,16,18,23,30H,5,8,11,14-15,17H2,1H3,(H,32,34)