2-[3-bromanyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]acetic acid CAS Name: 2-[3-bromo-4-[[1-isoquinolinyl(oxo)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]acetic acid Traditional Name: 2-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]acetic acid Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=C(C=C(C=C3)CC(=O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=C(C=C(C=C3)CC(=O)O)Br

InChI

InChI=1S/C18H13BrN2O3/c19-14-9-11(10-16(22)23)5-6-15(14)21-18(24)17-13-4-2-1-3-12(13)7-8-20-17/h1-9H,10H2,(H,21,24)(H,22,23)