2-[2-butyl-1-chloranyl-3-(phenylmethyl)-2H-imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-butyl-1-chloranyl-3-(phenylmethyl)-2H-imidazol-4-yl]ethanoic acid Openeye Name: 2-(3-benzyl-2-butyl-1-chloro-2H-imidazol-4-yl)acetic acid CAS Name: 2-[2-butyl-1-chloro-3-(phenylmethyl)-2H-imidazol-4-yl]acetic acid IUPAC Name: 2-(3-benzyl-2-butyl-1-chloro-2H-imidazol-4-yl)acetic acid Traditional Name: 2-(3-benzyl-2-butyl-1-chloro-4-imidazolin-4-yl)acetic acid Formula: C16H21ClN2O2 MolecularWeight: 308.80314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1CC2=CC=CC=C2)CC(=O)O)Cl

Isomeric SMILES

CCCCC1N(C=C(N1CC2=CC=CC=C2)CC(=O)O)Cl

InChI

InChI=1S/C16H21ClN2O2/c1-2-3-9-15-18(11-13-7-5-4-6-8-13)14(10-16(20)21)12-19(15)17/h4-8,12,15H,2-3,9-11H2,1H3,(H,20,21)