tert-butyl 3-(1-oxidanylideneisoquinolin-2-yl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(1-oxidanylideneisoquinolin-2-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(1-oxo-2-isoquinolyl)pyrrolidine-1-carboxylate CAS Name: 3-(1-oxo-2-isoquinolinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-oxoisoquinolin-2-yl)pyrrolidine-1-carboxylate Traditional Name: 3-(1-keto-2-isoquinolyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)19-10-9-14(12-19)20-11-8-13-6-4-5-7-15(13)16(20)21/h4-8,11,14H,9-10,12H2,1-3H3