2-(2-isoquinolin-1-yl-1,3-benzoxazol-6-yl)ethanoate

Systemtic Name: 2-(2-isoquinolin-1-yl-1,3-benzoxazol-6-yl)ethanoate Openeye Name: 2-[2-(1-isoquinolyl)-1,3-benzoxazol-6-yl]acetate CAS Name: 2-[2-(1-isoquinolinyl)-1,3-benzoxazol-6-yl]acetate IUPAC Name: 2-(2-isoquinolin-1-yl-1,3-benzoxazol-6-yl)acetate Traditional Name: 2-[2-(1-isoquinolyl)-1,3-benzoxazol-6-yl]acetate Formula: C18H11N2O3- MolecularWeight: 303.29154

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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)/p-1