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

Systemtic Name: 3-(3-carboxy-2-methyl-4-phenyl-phenyl)-6-oxidanylidene-2-propyl-cyclohepta[d]imidazole-5,7-dicarboxylic acid Openeye Name: 3-(3-carboxy-2-methyl-4-phenyl-phenyl)-6-oxo-2-propyl-cyclohepta[d]imidazole-5,7-dicarboxylic acid CAS Name: 3-(3-carboxy-2-methyl-4-phenylphenyl)-6-oxo-2-propylcyclohepta[d]imidazole-5,7-dicarboxylic acid IUPAC Name: 3-(3-carboxy-2-methyl-4-phenylphenyl)-6-oxo-2-propylcyclohepta[d]imidazole-5,7-dicarboxylic acid Traditional Name: 3-(3-carboxy-2-methyl-4-phenyl-phenyl)-6-keto-2-propyl-cyclohept[d]imidazole-5,7-dicarboxylic acid Formula: C27H22N2O7 MolecularWeight: 486.47278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C27H22N2O7/c1-3-7-22-28-19-12-17(25(31)32)24(30)18(26(33)34)13-21(19)29(22)20-11-10-16(15-8-5-4-6-9-15)23(14(20)2)27(35)36/h4-6,8-13H,3,7H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)