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

Systemtic Name: 2-[4-[(2-butyl-4-chloranyl-5-methoxycarbonyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-chloro-5-methoxycarbonyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-chloro-5-methoxycarbonyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-chloro-5-methoxycarbonylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbomethoxy-4-chloro-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC)Cl

InChI

InChI=1S/C23H23ClN2O4/c1-3-4-9-19-25-21(24)20(23(29)30-2)26(19)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)22(27)28/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,27,28)