5-[[ethyl-(3-methylphenyl)amino]methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[ethyl-(3-methylphenyl)amino]methyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(N-ethyl-3-methyl-anilino)methyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(N-ethyl-3-methylanilino)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(N-ethyl-3-methylanilino)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(N-ethyl-3-methyl-anilino)methyl]isophthalic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC(=C1)C(=O)O)C(=O)O)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CC1=CC(=CC(=C1)C(=O)O)C(=O)O)C2=CC=CC(=C2)C

InChI

InChI=1S/C18H19NO4/c1-3-19(16-6-4-5-12(2)7-16)11-13-8-14(17(20)21)10-15(9-13)18(22)23/h4-10H,3,11H2,1-2H3,(H,20,21)(H,22,23)