[1-(4-bromophenyl)isoquinolin-5-yl]methyl ethanoate

Systemtic Name: [1-(4-bromophenyl)isoquinolin-5-yl]methyl ethanoate Openeye Name: [1-(4-bromophenyl)-5-isoquinolyl]methyl acetate CAS Name: acetic acid [1-(4-bromophenyl)-5-isoquinolinyl]methyl ester IUPAC Name: [1-(4-bromophenyl)isoquinolin-5-yl]methyl acetate Traditional Name: acetic acid [1-(4-bromophenyl)-5-isoquinolyl]methyl ester Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)OCC1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO2/c1-12(21)22-11-14-3-2-4-17-16(14)9-10-20-18(17)13-5-7-15(19)8-6-13/h2-10H,11H2,1H3