6-(2-carboxy-5-methoxy-4-oxidanyl-phenyl)-7-methoxy-2-methyl-8-oxidanyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid

Systemtic Name: 6-(2-carboxy-5-methoxy-4-oxidanyl-phenyl)-7-methoxy-2-methyl-8-oxidanyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid Openeye Name: 6-(2-carboxy-4-hydroxy-5-methoxy-phenyl)-8-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid CAS Name: 6-(2-carboxy-4-hydroxy-5-methoxyphenyl)-8-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid IUPAC Name: 6-(2-carboxy-4-hydroxy-5-methoxyphenyl)-8-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid Traditional Name: 6-(2-carboxy-4-hydroxy-5-methoxy-phenyl)-8-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid Formula: C20H21NO8 MolecularWeight: 403.38264

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C(=C2C(=O)O)C3=CC(=C(C=C3C(=O)O)O)OC)OC)O

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C(=C2C(=O)O)C3=CC(=C(C=C3C(=O)O)O)OC)OC)O

InChI

InChI=1S/C20H21NO8/c1-21-5-4-9-12(8-21)17(23)18(29-3)15(16(9)20(26)27)10-7-14(28-2)13(22)6-11(10)19(24)25/h6-7,22-23H,4-5,8H2,1-3H3,(H,24,25)(H,26,27)