2-[(3-butyl-5-hexyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3-butyl-5-hexyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-5-hexyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-5-hexyl-2-oxo-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-5-hexyl-2-oxoimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-5-hexyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC

InChI

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