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

Systemtic Name: 2-[3-[(4-butanoyloxy-3-methyl-phenyl)methyl]-5-chloranyl-2-phenyl-imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(4-butanoyloxy-3-methyl-phenyl)methyl]-5-chloro-2-phenyl-imidazol-4-yl]acetic acid CAS Name: 2-[5-chloro-3-[[3-methyl-4-(1-oxobutoxy)phenyl]methyl]-2-phenyl-4-imidazolyl]acetic acid IUPAC Name: 2-[3-[(4-butanoyloxy-3-methylphenyl)methyl]-5-chloro-2-phenylimidazol-4-yl]acetic acid Traditional Name: 2-[3-(4-butyryloxy-3-methyl-benzyl)-5-chloro-2-phenyl-imidazol-4-yl]acetic acid Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)CN2C(=C(N=C2C3=CC=CC=C3)Cl)CC(=O)O)C

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)CN2C(=C(N=C2C3=CC=CC=C3)Cl)CC(=O)O)C

InChI

InChI=1S/C23H23ClN2O4/c1-3-7-21(29)30-19-11-10-16(12-15(19)2)14-26-18(13-20(27)28)22(24)25-23(26)17-8-5-4-6-9-17/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,27,28)