2,4-bis[3-(dimethylamino)propylcarbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[3-(dimethylamino)propylcarbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis[3-(dimethylamino)propylcarbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis[[3-(dimethylamino)propylamino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[3-(dimethylamino)propylcarbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis[3-(dimethylamino)propylcarbamoyl]isophthalic acid Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=C(C(=C(C=C1)C(=O)O)C(=O)NCCCN(C)C)C(=O)O

Isomeric SMILES

CN(C)CCCNC(=O)C1=C(C(=C(C=C1)C(=O)O)C(=O)NCCCN(C)C)C(=O)O

InChI

InChI=1S/C20H30N4O6/c1-23(2)11-5-9-21-17(25)13-7-8-14(19(27)28)15(16(13)20(29)30)18(26)22-10-6-12-24(3)4/h7-8H,5-6,9-12H2,1-4H3,(H,21,25)(H,22,26)(H,27,28)(H,29,30)