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

Systemtic Name: 2-[[3-butyl-4-chloranyl-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-4-chloro-5-isopentyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[[3-butyl-4-chloro-5-(3-methylbutyl)-2-oxo-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-butyl-4-chloro-5-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-4-chloro-5-isoamyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN2O3/c1-4-5-16-28-24(27)22(15-14-18(2)3)29(26(28)32)17-20-12-9-13-21(23(20)25(30)31)19-10-7-6-8-11-19/h6-13,18H,4-5,14-17H2,1-3H3,(H,30,31)