2-[4-[[2-(4-oxidanylbutyl)phenyl]carbamoyl]imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-[[2-(4-oxidanylbutyl)phenyl]carbamoyl]imidazol-1-yl]octanoic acid Openeye Name: 2-[4-[[2-(4-hydroxybutyl)phenyl]carbamoyl]imidazol-1-yl]octanoic acid CAS Name: 2-[4-[[2-(4-hydroxybutyl)anilino]-oxomethyl]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-[[2-(4-hydroxybutyl)phenyl]carbamoyl]imidazol-1-yl]octanoic acid Traditional Name: 2-[4-[[2-(4-hydroxybutyl)phenyl]carbamoyl]imidazol-1-yl]caprylic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)C(=O)NC2=CC=CC=C2CCCCO

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)C(=O)NC2=CC=CC=C2CCCCO

InChI

InChI=1S/C22H31N3O4/c1-2-3-4-5-13-20(22(28)29)25-15-19(23-16-25)21(27)24-18-12-7-6-10-17(18)11-8-9-14-26/h6-7,10,12,15-16,20,26H,2-5,8-9,11,13-14H2,1H3,(H,24,27)(H,28,29)