3-(5-chloranyl-2-oxidanyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(5-chloranyl-2-oxidanyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(5-chloro-2-hydroxy-phenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(5-chloro-2-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(5-chloro-2-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(5-chloro-2-hydroxy-phenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C19H18ClNO6/c1-21-17(12-6-9(20)4-5-13(12)22)16(19(24)25)10-7-14(26-2)15(27-3)8-11(10)18(21)23/h4-8,16-17,22H,1-3H3,(H,24,25)