(1-chloranyl-4-methyl-isoquinolin-5-yl) benzoate

Systemtic Name: (1-chloranyl-4-methyl-isoquinolin-5-yl) benzoate Openeye Name: (1-chloro-4-methyl-5-isoquinolyl) benzoate CAS Name: benzoic acid (1-chloro-4-methyl-5-isoquinolinyl) ester IUPAC Name: (1-chloro-4-methylisoquinolin-5-yl) benzoate Traditional Name: benzoic acid (1-chloro-4-methyl-5-isoquinolyl) ester Formula: C17H12ClNO2 MolecularWeight: 297.73568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)OC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)OC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H12ClNO2/c1-11-10-19-16(18)13-8-5-9-14(15(11)13)21-17(20)12-6-3-2-4-7-12/h2-10H,1H3