2-[4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]propanoic acid

Systemtic Name: 2-[4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]propanoic acid Openeye Name: 2-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]propanoic acid CAS Name: 2-[4-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]phenyl]propanoic acid IUPAC Name: 2-[4-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]propanoic acid Traditional Name: 2-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]propionic acid Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C)C(=O)O)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C)C(=O)O)C=O)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-3-4-5-16-20-17(19)15(11-22)21(16)10-13-6-8-14(9-7-13)12(2)18(23)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24)