(4-tert-butylphenyl)methyl N-isoquinolin-5-ylcarbamate hydrochloride

Systemtic Name: (4-tert-butylphenyl)methyl N-isoquinolin-5-ylcarbamate hydrochloride Openeye Name: (4-tert-butylphenyl)methyl N-(5-isoquinolyl)carbamate hydrochloride CAS Name: N-(5-isoquinolinyl)carbamic acid (4-tert-butylphenyl)methyl ester hydrochloride IUPAC Name: (4-tert-butylphenyl)methyl N-isoquinolin-5-ylcarbamate hydrochloride Traditional Name: N-(5-isoquinolyl)carbamic acid (4-tert-butylbenzyl) ester hydrochloride Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)NC2=CC=CC3=C2C=CN=C3.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)NC2=CC=CC3=C2C=CN=C3.Cl

InChI

InChI=1S/C21H22N2O2.ClH/c1-21(2,3)17-9-7-15(8-10-17)14-25-20(24)23-19-6-4-5-16-13-22-12-11-18(16)19;/h4-13H,14H2,1-3H3,(H,23,24);1H