[isoquinolin-1-yl(phenyl)methyl] furan-2-carboxylate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] furan-2-carboxylate Openeye Name: [1-isoquinolyl(phenyl)methyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C21H15NO3 MolecularWeight: 329.3487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CO4

InChI

InChI=1S/C21H15NO3/c23-21(18-11-6-14-24-18)25-20(16-8-2-1-3-9-16)19-17-10-5-4-7-15(17)12-13-22-19/h1-14,20H