4-[[4-(diethylamino)-2-methyl-phenyl]methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[[4-(diethylamino)-2-methyl-phenyl]methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[[4-(diethylamino)-2-methyl-phenyl]methyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[[4-(diethylamino)-2-methylphenyl]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[[4-(diethylamino)-2-methylphenyl]methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[4-(diethylamino)-2-methyl-benzyl]isophthalic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CC2=C(C=C(C=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CC2=C(C=C(C=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C20H23NO4/c1-4-21(5-2)17-9-8-14(13(3)10-17)11-15-6-7-16(19(22)23)12-18(15)20(24)25/h6-10,12H,4-5,11H2,1-3H3,(H,22,23)(H,24,25)