methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(phenethylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-oxolanylmethyl)-5-(phenethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(phenethylamino)-1-(tetrahydrofurfuryl)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=C2N1CC3CCCO3)NCCC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCCC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

InChI

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