hexyl 2-[4-[[2-(4-oxidanylbutyl)phenyl]carbamoyl]imidazol-1-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CN1C=C(N=C1)C(=O)NC2=CC=CC=C2CCCCO

Isomeric SMILES

CCCCCCOC(=O)CN1C=C(N=C1)C(=O)NC2=CC=CC=C2CCCCO

InChI

InChI=1S/C22H31N3O4/c1-2-3-4-9-14-29-21(27)16-25-15-20(23-17-25)22(28)24-19-12-6-5-10-18(19)11-7-8-13-26/h5-6,10,12,15,17,26H,2-4,7-9,11,13-14,16H2,1H3,(H,24,28)