(3-hexadecoxy-2-propoxy-propyl) 3-[(3-methyl-2H-imidazol-1-yl)methyl]benzoate

Systemtic Name: (3-hexadecoxy-2-propoxy-propyl) 3-[(3-methyl-2H-imidazol-1-yl)methyl]benzoate Openeye Name: (3-hexadecoxy-2-propoxy-propyl) 3-[(3-methyl-2H-imidazol-1-yl)methyl]benzoate CAS Name: 3-[(3-methyl-2H-imidazol-1-yl)methyl]benzoic acid (3-hexadecoxy-2-propoxypropyl) ester IUPAC Name: (3-hexadecoxy-2-propoxypropyl) 3-[(3-methyl-2H-imidazol-1-yl)methyl]benzoate Traditional Name: 3-[(3-methyl-4-imidazolin-1-yl)methyl]benzoic acid (3-cetyloxy-2-propoxy-propyl) ester Formula: C34H58N2O4 MolecularWeight: 558.83532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC(=CC=C1)CN2CN(C=C2)C)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC(=CC=C1)CN2CN(C=C2)C)OCCC

InChI

InChI=1S/C34H58N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-38-28-33(39-24-5-2)29-40-34(37)32-21-19-20-31(26-32)27-36-23-22-35(3)30-36/h19-23,26,33H,4-18,24-25,27-30H2,1-3H3