1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 7-benzyloxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid CAS Name: 1-chloro-4-hydroxy-7-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 7-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(=C(N=C3Cl)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(N=C3Cl)C(=O)O)O

InChI

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