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

Systemtic Name: 2-[4-[(2-butyl-4,4-dicyclopropyl-5-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4,4-dicyclopropyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4,4-dicyclopropyl-5-oxo-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4,4-dicyclopropyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4,4-dicyclopropyl-5-keto-2-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

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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)(C4CC4)C5CC5

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(C4CC4)C5CC5

InChI

InChI=1S/C27H30N2O3/c1-2-3-8-24-28-27(20-13-14-20,21-15-16-21)26(32)29(24)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)25(30)31/h4-7,9-12,20-21H,2-3,8,13-17H2,1H3,(H,30,31)