2-[1-(4-bromophenyl)-3-methyl-isoquinolin-5-yl]ethanoate

Systemtic Name: 2-[1-(4-bromophenyl)-3-methyl-isoquinolin-5-yl]ethanoate Openeye Name: 2-[1-(4-bromophenyl)-3-methyl-5-isoquinolyl]acetate CAS Name: 2-[1-(4-bromophenyl)-3-methyl-5-isoquinolinyl]acetate IUPAC Name: 2-[1-(4-bromophenyl)-3-methylisoquinolin-5-yl]acetate Traditional Name: 2-[1-(4-bromophenyl)-3-methyl-5-isoquinolyl]acetate Formula: C18H13BrNO2- MolecularWeight: 355.20532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC=C(C2=C1)CC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NC(=C2C=CC=C(C2=C1)CC(=O)[O-])C3=CC=C(C=C3)Br

InChI

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