4-[(2-butyl-4-methanoyl-imidazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-butyl-4-methanoyl-imidazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-butyl-4-formyl-imidazol-1-yl)methyl]benzoic acid CAS Name: 4-[(2-butyl-4-formyl-1-imidazolyl)methyl]benzoic acid IUPAC Name: 4-[(2-butyl-4-formylimidazol-1-yl)methyl]benzoic acid Traditional Name: 4-[(2-butyl-4-formyl-imidazol-1-yl)methyl]benzoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)O)C=O

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)O)C=O

InChI

InChI=1S/C16H18N2O3/c1-2-3-4-15-17-14(11-19)10-18(15)9-12-5-7-13(8-6-12)16(20)21/h5-8,10-11H,2-4,9H2,1H3,(H,20,21)