2-[4-[[2-butyl-4,4-bis(2-methylpropyl)-5-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-4,4-bis(2-methylpropyl)-5-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4,4-diisobutyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4,4-bis(2-methylpropyl)-5-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4,4-bis(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4,4-diisobutyl-5-keto-2-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(CC(C)C)CC(C)C

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(CC(C)C)CC(C)C

InChI

InChI=1S/C29H38N2O3/c1-6-7-12-26-30-29(17-20(2)3,18-21(4)5)28(34)31(26)19-22-13-15-23(16-14-22)24-10-8-9-11-25(24)27(32)33/h8-11,13-16,20-21H,6-7,12,17-19H2,1-5H3,(H,32,33)