2-[4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]propanoate

Systemtic Name: 2-[4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]propanoate Openeye Name: 2-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]propanoate CAS Name: 2-[4-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]phenyl]propanoate IUPAC Name: 2-[4-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]propanoate Traditional Name: 2-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]propionate Formula: C18H20ClN2O3- MolecularWeight: 347.816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C)C(=O)[O-])C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C)C(=O)[O-])C=O)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-3-4-5-16-20-17(19)15(11-22)21(16)10-13-6-8-14(9-7-13)12(2)18(23)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24)/p-1