2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxidanylidene-cyclohepta[d]imidazole-5,7-dicarboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxidanylidene-cyclohepta[d]imidazole-5,7-dicarboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-cyclohepta[d]imidazole-5,7-dicarboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxocyclohepta[d]imidazole-5,7-dicarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxocyclohepta[d]imidazole-5,7-dicarboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-6-keto-cyclohept[d]imidazole-5,7-dicarboxylic acid Formula: C28H24N2O7 MolecularWeight: 500.49936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C28H24N2O7/c1-2-3-8-24-29-22-13-20(27(34)35)25(31)21(28(36)37)14-23(22)30(24)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)26(32)33/h4-7,9-14H,2-3,8,15H2,1H3,(H,32,33)(H,34,35)(H,36,37)