2-[3-[(4-acetyloxy-3-methyl-phenyl)methyl]-5-chloranyl-2-phenyl-imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-acetyloxy-3-methyl-phenyl)methyl]-5-chloranyl-2-phenyl-imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(4-acetoxy-3-methyl-phenyl)methyl]-5-chloro-2-phenyl-imidazol-4-yl]acetic acid CAS Name: 2-[3-[(4-acetyloxy-3-methylphenyl)methyl]-5-chloro-2-phenyl-4-imidazolyl]acetic acid IUPAC Name: 2-[3-[(4-acetyloxy-3-methylphenyl)methyl]-5-chloro-2-phenylimidazol-4-yl]acetic acid Traditional Name: 2-[3-(4-acetoxy-3-methyl-benzyl)-5-chloro-2-phenyl-imidazol-4-yl]acetic acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C(=C(N=C2C3=CC=CC=C3)Cl)CC(=O)O)OC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C(=C(N=C2C3=CC=CC=C3)Cl)CC(=O)O)OC(=O)C

InChI

InChI=1S/C21H19ClN2O4/c1-13-10-15(8-9-18(13)28-14(2)25)12-24-17(11-19(26)27)20(22)23-21(24)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3,(H,26,27)