lithium tert-butyl 3-cyclohexyl-1-methyl-isoquinolin-1-ide-2-carboxylate

Systemtic Name: lithium tert-butyl 3-cyclohexyl-1-methyl-isoquinolin-1-ide-2-carboxylate Openeye Name: lithium tert-butyl 3-cyclohexyl-1-methyl-isoquinolin-1-ide-2-carboxylate CAS Name: lithium 3-cyclohexyl-1-methyl-2-isoquinolin-1-idecarboxylic acid tert-butyl ester IUPAC Name: lithium tert-butyl 3-cyclohexyl-1-methylisoquinolin-1-ide-2-carboxylate Traditional Name: lithium 3-cyclohexyl-1-methyl-isoquinolin-1-ide-2-carboxylic acid tert-butyl ester Formula: C21H28LiNO2 MolecularWeight: 333.39352

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C[C-]1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3

Isomeric SMILES

[Li+].C[C-]1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3

InChI

InChI=1S/C21H28NO2.Li/c1-15-18-13-9-8-12-17(18)14-19(16-10-6-5-7-11-16)22(15)20(23)24-21(2,3)4;/h8-9,12-14,16H,5-7,10-11H2,1-4H3;/q-1;+1