(1-ethoxyisoquinolin-5-yl) benzoate

Systemtic Name: (1-ethoxyisoquinolin-5-yl) benzoate Openeye Name: (1-ethoxy-5-isoquinolyl) benzoate CAS Name: benzoic acid (1-ethoxy-5-isoquinolinyl) ester IUPAC Name: (1-ethoxyisoquinolin-5-yl) benzoate Traditional Name: benzoic acid (1-ethoxy-5-isoquinolyl) ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=CC2=C1C=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=NC=CC2=C1C=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO3/c1-2-21-17-15-9-6-10-16(14(15)11-12-19-17)22-18(20)13-7-4-3-5-8-13/h3-12H,2H2,1H3