2-[(3-butyl-4-chloranyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3-butyl-4-chloranyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-4-chloro-2-oxo-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-4-chloro-2-oxo-5-propyl-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-4-chloro-2-oxo-5-propylimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-4-chloro-2-keto-5-propyl-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C24H27ClN2O3 MolecularWeight: 426.93578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC)Cl

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC)Cl

InChI

InChI=1S/C24H27ClN2O3/c1-3-5-15-26-22(25)20(10-4-2)27(24(26)30)16-18-13-9-14-19(21(18)23(28)29)17-11-7-6-8-12-17/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,28,29)