tert-butyl 5-methyl-3-(3-oxidanylprop-1-ynyl)pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 5-methyl-3-(3-oxidanylprop-1-ynyl)pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-(3-hydroxyprop-1-ynyl)-5-methyl-pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 3-(3-hydroxyprop-1-ynyl)-5-methyl-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-hydroxyprop-1-ynyl)-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 3-(3-hydroxyprop-1-ynyl)-5-methyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C(=CN2C(=O)OC(C)(C)C)C#CCO

Isomeric SMILES

CC1=CN=C2C(=C1)C(=CN2C(=O)OC(C)(C)C)C#CCO

InChI

InChI=1S/C16H18N2O3/c1-11-8-13-12(6-5-7-19)10-18(14(13)17-9-11)15(20)21-16(2,3)4/h8-10,19H,7H2,1-4H3