2-[1-(4-bromophenyl)isoquinolin-5-yl]butanoic acid

Systemtic Name: 2-[1-(4-bromophenyl)isoquinolin-5-yl]butanoic acid Openeye Name: 2-[1-(4-bromophenyl)-5-isoquinolyl]butanoic acid CAS Name: 2-[1-(4-bromophenyl)-5-isoquinolinyl]butanoic acid IUPAC Name: 2-[1-(4-bromophenyl)isoquinolin-5-yl]butanoic acid Traditional Name: 2-[1-(4-bromophenyl)-5-isoquinolyl]butyric acid Formula: C19H16BrNO2 MolecularWeight: 370.23984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H16BrNO2/c1-2-14(19(22)23)15-4-3-5-17-16(15)10-11-21-18(17)12-6-8-13(20)9-7-12/h3-11,14H,2H2,1H3,(H,22,23)