2-[4-[(2-butyl-5,7-dimethanoyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5,7-dimethanoyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5,7-diformyl-6-oxo-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5,7-diformyl-6-oxo-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5,7-diformyl-6-oxocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5,7-diformyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C28H24N2O5 MolecularWeight: 468.50056

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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)C=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)C=O

InChI

InChI=1S/C28H24N2O5/c1-2-3-8-26-29-24-13-20(16-31)27(33)21(17-32)14-25(24)30(26)15-18-9-11-19(12-10-18)22-6-4-5-7-23(22)28(34)35/h4-7,9-14,16-17H,2-3,8,15H2,1H3,(H,34,35)