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

Systemtic Name: 2-[4-[(5-methanoyl-4-methyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-formyl-4-methyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-formyl-4-methyl-2-propyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-formyl-4-methyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-formyl-4-methyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-3-6-21-23-15(2)20(14-25)24(21)13-16-9-11-17(12-10-16)18-7-4-5-8-19(18)22(26)27/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,26,27)