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

Systemtic Name: methyl 3-acetamido-5-[(3-methoxyphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(3-methoxyphenyl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(3-methoxyphenyl)methylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(3-methoxyphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(m-anisylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC(=CC=C3)OC)CC4CCCO4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC(=CC=C3)OC)CC4CCCO4)C(=O)OC

InChI

InChI=1S/C24H28N4O5/c1-15(29)27-21-20-11-17(25-12-16-6-4-7-18(10-16)31-2)13-26-23(20)28(22(21)24(30)32-3)14-19-8-5-9-33-19/h4,6-7,10-11,13,19,25H,5,8-9,12,14H2,1-3H3,(H,27,29)