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

Systemtic Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]benzoic acid Openeye Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]benzoic acid CAS Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]benzoic acid IUPAC Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]benzoic acid Traditional Name: 3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]benzoic acid Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2/c1-2-3-11-20-23-13-19(15-8-6-9-16(12-15)21(25)26)24(20)14-17-7-4-5-10-18(17)22/h4-10,12-13H,2-3,11,14H2,1H3,(H,25,26)