4,6-bis[(1-ethyl-2-methyl-indol-3-yl)carbonyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[(1-ethyl-2-methyl-indol-3-yl)carbonyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(1-ethyl-2-methyl-indole-3-carbonyl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(1-ethyl-2-methyl-3-indolyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(1-ethyl-2-methylindole-3-carbonyl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(1-ethyl-2-methyl-indole-3-carbonyl)isophthalic acid Formula: C32H28N2O6 MolecularWeight: 536.57452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3C(=O)O)C(=O)O)C(=O)C4=C(N(C5=CC=CC=C54)CC)C)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3C(=O)O)C(=O)O)C(=O)C4=C(N(C5=CC=CC=C54)CC)C)C

InChI

InChI=1S/C32H28N2O6/c1-5-33-17(3)27(19-11-7-9-13-25(19)33)29(35)21-15-22(24(32(39)40)16-23(21)31(37)38)30(36)28-18(4)34(6-2)26-14-10-8-12-20(26)28/h7-16H,5-6H2,1-4H3,(H,37,38)(H,39,40)