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

Systemtic Name: methyl 3-benzamido-5-[(3-methoxyphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(3-methoxyphenyl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-[(3-methoxyphenyl)methylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-[(3-methoxyphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(m-anisylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O5/c1-36-22-11-6-8-19(14-22)16-30-21-15-24-25(32-28(34)20-9-4-3-5-10-20)26(29(35)37-2)33(27(24)31-17-21)18-23-12-7-13-38-23/h3-6,8-11,14-15,17,23,30H,7,12-13,16,18H2,1-2H3,(H,32,34)