2-(2-isoquinolin-1-yl-1,3-benzoxazol-6-yl)ethanoic acid

Systemtic Name: 2-(2-isoquinolin-1-yl-1,3-benzoxazol-6-yl)ethanoic acid Openeye Name: 2-[2-(1-isoquinolyl)-1,3-benzoxazol-6-yl]acetic acid CAS Name: 2-[2-(1-isoquinolinyl)-1,3-benzoxazol-6-yl]acetic acid IUPAC Name: 2-(2-isoquinolin-1-yl-1,3-benzoxazol-6-yl)acetic acid Traditional Name: 2-[2-(1-isoquinolyl)-1,3-benzoxazol-6-yl]acetic acid Formula: C18H12N2O3 MolecularWeight: 304.29948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=NC4=C(O3)C=C(C=C4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=NC4=C(O3)C=C(C=C4)CC(=O)O

InChI

InChI=1S/C18H12N2O3/c21-16(22)10-11-5-6-14-15(9-11)23-18(20-14)17-13-4-2-1-3-12(13)7-8-19-17/h1-9H,10H2,(H,21,22)