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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-21(2)18-25-20-30(17-16-22-8-4-3-5-9-22)29(34)31(25)19-23-12-14-24(15-13-23)26-10-6-7-11-27(26)28(32)33/h3-15,20-21H,16-19H2,1-2H3,(H,32,33)