methyl 3-acetamido-5-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(2-methoxy-1-methyl-2-oxo-ethyl)amino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(1-methoxy-1-oxopropan-2-yl)amino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(1-methoxy-1-oxopropan-2-yl)amino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(2-keto-2-methoxy-1-methyl-ethyl)amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(C(=O)OC)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C

InChI

InChI=1S/C20H26N4O6/c1-11(19(26)28-3)22-13-8-15-16(23-12(2)25)17(20(27)29-4)24(18(15)21-9-13)10-14-6-5-7-30-14/h8-9,11,14,22H,5-7,10H2,1-4H3,(H,23,25)