tert-butyl 3-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(5-methyl-1-oxo-2H-isoquinolin-3-yl)pyrrolidine-1-carboxylate CAS Name: 3-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-methyl-1-oxo-2H-isoquinolin-3-yl)pyrrolidine-1-carboxylate Traditional Name: 3-(1-keto-5-methyl-2H-isoquinolin-3-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H24N2O3/c1-12-6-5-7-14-15(12)10-16(20-17(14)22)13-8-9-21(11-13)18(23)24-19(2,3)4/h5-7,10,13H,8-9,11H2,1-4H3,(H,20,22)