2-[4-[(3,5-dibutyl-4-chloranyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3,5-dibutyl-4-chloranyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3,5-dibutyl-4-chloro-2-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3,5-dibutyl-4-chloro-2-oxo-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3,5-dibutyl-4-chloro-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3,5-dibutyl-4-chloro-2-keto-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C25H29ClN2O3 MolecularWeight: 440.96236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC)Cl

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC)Cl

InChI

InChI=1S/C25H29ClN2O3/c1-3-5-11-22-23(26)27(16-6-4-2)25(31)28(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24(29)30/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,29,30)