5-oxidanyl-3-(phenylmethyl)isoquinoline-1-carboxylate

Systemtic Name: 5-oxidanyl-3-(phenylmethyl)isoquinoline-1-carboxylate Openeye Name: 3-benzyl-5-hydroxy-isoquinoline-1-carboxylate CAS Name: 5-hydroxy-3-(phenylmethyl)-1-isoquinolinecarboxylate IUPAC Name: 3-benzyl-5-hydroxyisoquinoline-1-carboxylate Traditional Name: 3-benzyl-5-hydroxy-isoquinoline-1-carboxylate Formula: C17H12NO3- MolecularWeight: 278.28208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C3C=CC=C(C3=C2)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C3C=CC=C(C3=C2)O)C(=O)[O-]

InChI

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