(5-aminocarbonyl-1H-imidazol-4-yl) 4-hexadecyl-2-methyl-benzoate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 4-hexadecyl-2-methyl-benzoate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 4-hexadecyl-2-methyl-benzoate CAS Name: 4-hexadecyl-2-methylbenzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 4-hexadecyl-2-methylbenzoate Traditional Name: 4-cetyl-2-methyl-benzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C28H43N3O3 MolecularWeight: 469.65932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(NC=N2)C(=O)N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(NC=N2)C(=O)N)C

InChI

InChI=1S/C28H43N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-19-24(22(2)20-23)28(33)34-27-25(26(29)32)30-21-31-27/h18-21H,3-17H2,1-2H3,(H2,29,32)(H,30,31)