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

Systemtic Name: 2-[4-[[2-butyl-5-oxidanylidene-4,4-di(propan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4,4-diisopropyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-oxo-4,4-di(propan-2-yl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-oxo-4,4-di(propan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4,4-diisopropyl-5-keto-2-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H34N2O3 MolecularWeight: 434.57046

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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)(C(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-6-7-12-24-28-27(18(2)3,19(4)5)26(32)29(24)17-20-13-15-21(16-14-20)22-10-8-9-11-23(22)25(30)31/h8-11,13-16,18-19H,6-7,12,17H2,1-5H3,(H,30,31)