3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: 2-benzyl-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxo-propanoic acid CAS Name: 3-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]oxy]-2-methyl-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: 2-benzyl-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]oxy-2-methyl-3-oxopropanoic acid Traditional Name: 2-benzyl-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]oxy-3-keto-2-methyl-propionic acid Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)OC(=O)C(C)(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)OC(=O)C(C)(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27ClN2O4/c1-3-4-14-21-27-16-22(28(21)17-19-12-8-9-13-20(19)26)32-24(31)25(2,23(29)30)15-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,29,30)