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

Systemtic Name: 2-[(5-butan-2-yl-2-oxidanylidene-3-phenethyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(2-oxo-3-phenethyl-5-sec-butyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(5-butan-2-yl-2-oxo-3-phenethyl-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(5-butan-2-yl-2-oxo-3-phenethylimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(2-keto-3-phenethyl-5-sec-butyl-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-3-21(2)26-20-30(18-17-22-11-6-4-7-12-22)29(34)31(26)19-24-15-10-16-25(27(24)28(32)33)23-13-8-5-9-14-23/h4-16,20-21H,3,17-19H2,1-2H3,(H,32,33)