2-[(3-butyl-4-methanoyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3-butyl-4-methanoyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-4-formyl-2-oxo-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-4-formyl-2-oxo-5-propyl-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-4-formyl-2-oxo-5-propylimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-4-formyl-2-keto-5-propyl-4-imidazolin-1-yl)methyl]-6-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=CC(=C2C(=O)O)C3=CC=CC=C3)CCC)C=O

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC)C=O

InChI

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