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

Systemtic Name: 2-[[4-methyl-5-(3-methylbutyl)-2-oxidanylidene-3-phenethyl-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(5-isopentyl-4-methyl-2-oxo-3-phenethyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[[4-methyl-5-(3-methylbutyl)-2-oxo-3-phenethyl-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[4-methyl-5-(3-methylbutyl)-2-oxo-3-phenethylimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[(5-isoamyl-2-keto-4-methyl-3-phenethyl-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C31H34N2O3 MolecularWeight: 482.61326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N1CCC2=CC=CC=C2)CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)CCC(C)C

Isomeric SMILES

CC1=C(N(C(=O)N1CCC2=CC=CC=C2)CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)CCC(C)C

InChI

InChI=1S/C31H34N2O3/c1-22(2)17-18-28-23(3)32(20-19-24-11-6-4-7-12-24)31(36)33(28)21-26-15-10-16-27(29(26)30(34)35)25-13-8-5-9-14-25/h4-16,22H,17-21H2,1-3H3,(H,34,35)