isoquinolin-1-ylmethyl benzoate

Systemtic Name: isoquinolin-1-ylmethyl benzoate Openeye Name: 1-isoquinolylmethyl benzoate CAS Name: benzoic acid 1-isoquinolinylmethyl ester IUPAC Name: isoquinolin-1-ylmethyl benzoate Traditional Name: benzoic acid 1-isoquinolylmethyl ester Formula: C17H13NO2 MolecularWeight: 263.29062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H13NO2/c19-17(14-7-2-1-3-8-14)20-12-16-15-9-5-4-6-13(15)10-11-18-16/h1-11H,12H2