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

Systemtic Name: methyl 3-acetamido-5-(2,2-dimethylpropylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(2,2-dimethylpropylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(2,2-dimethylpropylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(2,2-dimethylpropylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(neopentylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC(C)(C)C)CC3CCCO3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC(C)(C)C)CC3CCCO3)C(=O)OC

InChI

InChI=1S/C21H30N4O4/c1-13(26)24-17-16-9-14(23-12-21(2,3)4)10-22-19(16)25(18(17)20(27)28-5)11-15-7-6-8-29-15/h9-10,15,23H,6-8,11-12H2,1-5H3,(H,24,26)