2-[4-[(3-butan-2-yl-4-methanoyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butan-2-yl-4-methanoyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-formyl-2-oxo-5-propyl-3-sec-butyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butan-2-yl-4-formyl-2-oxo-5-propyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butan-2-yl-4-formyl-2-oxo-5-propylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-formyl-2-keto-5-propyl-3-sec-butyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC)C=O

Isomeric SMILES

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC)C=O

InChI

InChI=1S/C25H28N2O4/c1-4-8-22-23(16-28)27(17(3)5-2)25(31)26(22)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)24(29)30/h6-7,9-14,16-17H,4-5,8,15H2,1-3H3,(H,29,30)