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

Systemtic Name: methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-[(phenylmethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(benzylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-5-[(phenylmethyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylamino)-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(benzylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=CC=C4)NC(=O)C5CCOC5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=CC=C4)NC(=O)C5CCOC5

InChI

InChI=1S/C29H30N4O4/c1-36-29(35)26-25(32-28(34)22-13-15-37-19-22)24-16-23(30-17-21-10-6-3-7-11-21)18-31-27(24)33(26)14-12-20-8-4-2-5-9-20/h2-11,16,18,22,30H,12-15,17,19H2,1H3,(H,32,34)