1-chloranyl-4-oxidanyl-6-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 1-chloranyl-4-oxidanyl-6-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 6-benzyloxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid CAS Name: 1-chloro-4-hydroxy-6-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-chloro-4-hydroxy-6-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid Formula: C17H12ClNO4 MolecularWeight: 329.73448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)O)Cl

InChI

InChI=1S/C17H12ClNO4/c18-16-12-7-6-11(23-9-10-4-2-1-3-5-10)8-13(12)15(20)14(19-16)17(21)22/h1-8,20H,9H2,(H,21,22)