lithium tert-butyl 3-butyl-1H-isoquinolin-1-ide-2-carboxylate

Systemtic Name: lithium tert-butyl 3-butyl-1H-isoquinolin-1-ide-2-carboxylate Openeye Name: lithium tert-butyl 3-butyl-1H-isoquinolin-1-ide-2-carboxylate CAS Name: lithium 3-butyl-1H-isoquinolin-1-ide-2-carboxylic acid tert-butyl ester IUPAC Name: lithium tert-butyl 3-butyl-1H-isoquinolin-1-ide-2-carboxylate Traditional Name: lithium 3-butyl-1H-isoquinolin-1-ide-2-carboxylic acid tert-butyl ester Formula: C18H24LiNO2 MolecularWeight: 293.32966

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCC1=CC2=CC=CC=C2[CH-]N1C(=O)OC(C)(C)C

Isomeric SMILES

[Li+].CCCCC1=CC2=CC=CC=C2[CH-]N1C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24NO2.Li/c1-5-6-11-16-12-14-9-7-8-10-15(14)13-19(16)17(20)21-18(2,3)4;/h7-10,12-13H,5-6,11H2,1-4H3;/q-1;+1