(phenylmethyl) 5-oxidanylisoquinoline-1-carboxylate

Systemtic Name: (phenylmethyl) 5-oxidanylisoquinoline-1-carboxylate Openeye Name: benzyl 5-hydroxyisoquinoline-1-carboxylate CAS Name: 5-hydroxy-1-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-hydroxyisoquinoline-1-carboxylate Traditional Name: 5-hydroxyisoquinoline-1-carboxylic acid benzyl ester Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC=CC3=C2C=CC=C3O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC=CC3=C2C=CC=C3O

InChI

InChI=1S/C17H13NO3/c19-15-8-4-7-14-13(15)9-10-18-16(14)17(20)21-11-12-5-2-1-3-6-12/h1-10,19H,11H2