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

Systemtic Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]propionic acid Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(=O)O

InChI

InChI=1S/C17H21ClN2O2/c1-2-3-8-16-19-11-14(9-10-17(21)22)20(16)12-13-6-4-5-7-15(13)18/h4-7,11H,2-3,8-10,12H2,1H3,(H,21,22)