(phenylmethyl) 8-(1-oxidanylidene-2H-isoquinolin-5-yl)quinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 8-(1-oxidanylidene-2H-isoquinolin-5-yl)quinoline-2-carboxylate Openeye Name: benzyl 8-(1-oxo-2H-isoquinolin-5-yl)quinoline-2-carboxylate CAS Name: 8-(1-oxo-2H-isoquinolin-5-yl)-2-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-(1-oxo-2H-isoquinolin-5-yl)quinoline-2-carboxylate Traditional Name: 8-(1-keto-2H-isoquinolin-5-yl)quinaldic acid benzyl ester Formula: C26H18N2O3 MolecularWeight: 406.43272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C=CC=C3C4=CC=CC5=C4C=CNC5=O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C=CC=C3C4=CC=CC5=C4C=CNC5=O)C=C2

InChI

InChI=1S/C26H18N2O3/c29-25-22-11-5-9-19(20(22)14-15-27-25)21-10-4-8-18-12-13-23(28-24(18)21)26(30)31-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,27,29)