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

Systemtic Name: 4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-oxo-butanoic acid CAS Name: 4-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-3-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-oxobutanoic acid Traditional Name: 2-benzyl-4-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-3-keto-butyric acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3/c1-2-3-13-24-27-16-20(28(24)17-19-11-7-8-12-22(19)26)15-23(29)21(25(30)31)14-18-9-5-4-6-10-18/h4-12,16,21H,2-3,13-15,17H2,1H3,(H,30,31)