4-ethanoyl-6-[[2-methyl-4-[3-methyl-4-(methylamino)-2-oxidanyl-phenyl]-3-oxidanyl-phenyl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-ethanoyl-6-[[2-methyl-4-[3-methyl-4-(methylamino)-2-oxidanyl-phenyl]-3-oxidanyl-phenyl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-acetyl-6-[[3-hydroxy-4-[2-hydroxy-3-methyl-4-(methylamino)phenyl]-2-methyl-phenyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-acetyl-6-[[3-hydroxy-4-[2-hydroxy-3-methyl-4-(methylamino)phenyl]-2-methylanilino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-acetyl-6-[[3-hydroxy-4-[2-hydroxy-3-methyl-4-(methylamino)phenyl]-2-methylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-acetyl-6-[[3-hydroxy-4-[2-hydroxy-3-methyl-4-(methylamino)phenyl]-2-methyl-phenyl]carbamoyl]isophthalic acid Formula: C26H24N2O8 MolecularWeight: 492.47736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C2=C(C(=C(C=C2)NC(=O)C3=C(C=C(C(=C3)C(=O)C)C(=O)O)C(=O)O)C)O)NC

Isomeric SMILES

CC1=C(C=CC(=C1O)C2=C(C(=C(C=C2)NC(=O)C3=C(C=C(C(=C3)C(=O)C)C(=O)O)C(=O)O)C)O)NC

InChI

InChI=1S/C26H24N2O8/c1-11-20(27-4)7-5-14(22(11)30)15-6-8-21(12(2)23(15)31)28-24(32)17-9-16(13(3)29)18(25(33)34)10-19(17)26(35)36/h5-10,27,30-31H,1-4H3,(H,28,32)(H,33,34)(H,35,36)