tert-butyl 2-oxidanyl-2-phenyl-3-prop-2-enyl-3H-pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanyl-2-phenyl-3-prop-2-enyl-3H-pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-allyl-2-hydroxy-2-phenyl-3H-pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 2-hydroxy-2-phenyl-3-prop-2-enyl-3H-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-hydroxy-2-phenyl-3-prop-2-enyl-3H-pyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 3-allyl-2-hydroxy-2-phenyl-3H-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC=N2)C(C1(C3=CC=CC=C3)O)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC=N2)C(C1(C3=CC=CC=C3)O)CC=C

InChI

InChI=1S/C21H24N2O3/c1-5-10-17-16-13-9-14-22-18(16)23(19(24)26-20(2,3)4)21(17,25)15-11-7-6-8-12-15/h5-9,11-14,17,25H,1,10H2,2-4H3