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

Systemtic Name: lithium tert-butyl 3-cyclohexyl-1H-isoquinolin-1-ide-2-carboxylate Openeye Name: lithium tert-butyl 3-cyclohexyl-1H-isoquinolin-1-ide-2-carboxylate CAS Name: lithium 3-cyclohexyl-1H-isoquinolin-1-ide-2-carboxylic acid tert-butyl ester IUPAC Name: lithium tert-butyl 3-cyclohexyl-1H-isoquinolin-1-ide-2-carboxylate Traditional Name: lithium 3-cyclohexyl-1H-isoquinolin-1-ide-2-carboxylic acid tert-butyl ester Formula: C20H26LiNO2 MolecularWeight: 319.36694

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(C)(C)OC(=O)N1[CH-]C2=CC=CC=C2C=C1C3CCCCC3

Isomeric SMILES

[Li+].CC(C)(C)OC(=O)N1[CH-]C2=CC=CC=C2C=C1C3CCCCC3

InChI

InChI=1S/C20H26NO2.Li/c1-20(2,3)23-19(22)21-14-17-12-8-7-11-16(17)13-18(21)15-9-5-4-6-10-15;/h7-8,11-15H,4-6,9-10H2,1-3H3;/q-1;+1