2-[2-(4-butoxyphenyl)-5-chloranyl-3-(phenylmethyl)imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(4-butoxyphenyl)-5-chloranyl-3-(phenylmethyl)imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-benzyl-2-(4-butoxyphenyl)-5-chloro-imidazol-4-yl]acetic acid CAS Name: 2-[2-(4-butoxyphenyl)-5-chloro-3-(phenylmethyl)-4-imidazolyl]acetic acid IUPAC Name: 2-[3-benzyl-2-(4-butoxyphenyl)-5-chloroimidazol-4-yl]acetic acid Traditional Name: 2-[3-benzyl-2-(4-butoxyphenyl)-5-chloro-imidazol-4-yl]acetic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=C(N2CC3=CC=CC=C3)CC(=O)O)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=C(N2CC3=CC=CC=C3)CC(=O)O)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-2-3-13-28-18-11-9-17(10-12-18)22-24-21(23)19(14-20(26)27)25(22)15-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,26,27)