isoquinolin-7-yl N-[(4-butoxyphenyl)methyl]carbamate

Systemtic Name: isoquinolin-7-yl N-[(4-butoxyphenyl)methyl]carbamate Openeye Name: 7-isoquinolyl N-[(4-butoxyphenyl)methyl]carbamate CAS Name: N-[(4-butoxyphenyl)methyl]carbamic acid 7-isoquinolinyl ester IUPAC Name: isoquinolin-7-yl N-[(4-butoxyphenyl)methyl]carbamate Traditional Name: N-(4-butoxybenzyl)carbamic acid 7-isoquinolyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)OC2=CC3=C(C=C2)C=CN=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)OC2=CC3=C(C=C2)C=CN=C3

InChI

InChI=1S/C21H22N2O3/c1-2-3-12-25-19-7-4-16(5-8-19)14-23-21(24)26-20-9-6-17-10-11-22-15-18(17)13-20/h4-11,13,15H,2-3,12,14H2,1H3,(H,23,24)