3-[[3-carboxy-4-(dimethylamino)-2-methyl-phenyl]-oxidanyl-methyl]-6-(dimethylamino)-2-methyl-benzoic acid

Systemtic Name: 3-[[3-carboxy-4-(dimethylamino)-2-methyl-phenyl]-oxidanyl-methyl]-6-(dimethylamino)-2-methyl-benzoic acid Openeye Name: 3-[[3-carboxy-4-(dimethylamino)-2-methyl-phenyl]-hydroxy-methyl]-6-(dimethylamino)-2-methyl-benzoic acid CAS Name: 3-[[3-carboxy-4-(dimethylamino)-2-methylphenyl]-hydroxymethyl]-6-(dimethylamino)-2-methylbenzoic acid IUPAC Name: 3-[[3-carboxy-4-(dimethylamino)-2-methylphenyl]-hydroxymethyl]-6-(dimethylamino)-2-methylbenzoic acid Traditional Name: 3-[[3-carboxy-4-(dimethylamino)-2-methyl-phenyl]-hydroxy-methyl]-6-(dimethylamino)-2-methyl-benzoic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)N(C)C)C(C2=C(C(=C(C=C2)N(C)C)C(=O)O)C)O

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)N(C)C)C(C2=C(C(=C(C=C2)N(C)C)C(=O)O)C)O

InChI

InChI=1S/C21H26N2O5/c1-11-13(7-9-15(22(3)4)17(11)20(25)26)19(24)14-8-10-16(23(5)6)18(12(14)2)21(27)28/h7-10,19,24H,1-6H3,(H,25,26)(H,27,28)