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

Systemtic Name: methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-[(phenylmethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(benzylamino)-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-5-[(phenylmethyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylamino)-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(benzylamino)-1-phenethyl-3-(tetrahydrofuran-2-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)C5CCCO5

Isomeric SMILES

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

InChI

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