methyl 3-benzamido-5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(4-hydroxy-3-methoxy-phenyl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-[(4-hydroxy-3-methoxyphenyl)methylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-[(4-hydroxy-3-methoxyphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(tetrahydrofurfuryl)-5-(vanillylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C29H30N4O6/c1-37-24-13-18(10-11-23(24)34)15-30-20-14-22-25(32-28(35)19-7-4-3-5-8-19)26(29(36)38-2)33(27(22)31-16-20)17-21-9-6-12-39-21/h3-5,7-8,10-11,13-14,16,21,30,34H,6,9,12,15,17H2,1-2H3,(H,32,35)