tert-butyl 4-[(5-oxidanylidene-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-oxidanylidene-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(5-keto-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NC3=C(C=C2)C(=O)NC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NC3=C(C=C2)C(=O)NC3

InChI

InChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-8-6-12(7-9-21)10-13-4-5-14-15(20-13)11-19-16(14)22/h4-5,12H,6-11H2,1-3H3,(H,19,22)