5-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)-(4-dimethylaminophenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)-(4-dimethylaminophenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C(=C3)C(=O)O)O)C)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C(=C3)C(=O)O)O)C)C(=O)O)O

InChI

InChI=1S/C25H25NO6/c1-13-9-16(11-19(22(13)27)24(29)30)21(15-5-7-18(8-6-15)26(3)4)17-10-14(2)23(28)20(12-17)25(31)32/h5-12,21,27-28H,1-4H3,(H,29,30)(H,31,32)