2-(6-carboxy-3-methoxy-2-oxidanyl-phenyl)-6-(2-dimethylaminoethyl)-4-methoxy-3-oxidanyl-benzoic acid

Systemtic Name: 2-(6-carboxy-3-methoxy-2-oxidanyl-phenyl)-6-(2-dimethylaminoethyl)-4-methoxy-3-oxidanyl-benzoic acid Openeye Name: 2-(6-carboxy-2-hydroxy-3-methoxy-phenyl)-6-(2-dimethylaminoethyl)-3-hydroxy-4-methoxy-benzoic acid CAS Name: 2-(6-carboxy-2-hydroxy-3-methoxyphenyl)-6-(2-dimethylaminoethyl)-3-hydroxy-4-methoxybenzoic acid IUPAC Name: 2-(6-carboxy-2-hydroxy-3-methoxyphenyl)-6-(2-dimethylaminoethyl)-3-hydroxy-4-methoxybenzoic acid Traditional Name: 2-(6-carboxy-2-hydroxy-3-methoxy-phenyl)-6-(2-dimethylaminoethyl)-3-hydroxy-4-methoxy-benzoic acid Formula: C20H23NO8 MolecularWeight: 405.39852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=C(C(=C1C(=O)O)C2=C(C=CC(=C2O)OC)C(=O)O)O)OC

Isomeric SMILES

CN(C)CCC1=CC(=C(C(=C1C(=O)O)C2=C(C=CC(=C2O)OC)C(=O)O)O)OC

InChI

InChI=1S/C20H23NO8/c1-21(2)8-7-10-9-13(29-4)18(23)16(14(10)20(26)27)15-11(19(24)25)5-6-12(28-3)17(15)22/h5-6,9,22-23H,7-8H2,1-4H3,(H,24,25)(H,26,27)