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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)CCC)C=O

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)CCC)C=O

InChI

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