(3-butoxyphenyl) (Z)-5-azanyloxy-2-ethyl-7-imidazol-1-yl-hept-5-enoate

Systemtic Name: (3-butoxyphenyl) (Z)-5-azanyloxy-2-ethyl-7-imidazol-1-yl-hept-5-enoate Openeye Name: (3-butoxyphenyl) (Z)-5-aminooxy-2-ethyl-7-imidazol-1-yl-hept-5-enoate CAS Name: (Z)-5-aminooxy-2-ethyl-7-(1-imidazolyl)-5-heptenoic acid (3-butoxyphenyl) ester IUPAC Name: (3-butoxyphenyl) (Z)-5-aminooxy-2-ethyl-7-imidazol-1-ylhept-5-enoate Traditional Name: (Z)-5-aminooxy-2-ethyl-7-imidazol-1-yl-hept-5-enoic acid (3-butoxyphenyl) ester Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)OC(=O)C(CC)CCC(=CCN2C=CN=C2)ON

Isomeric SMILES

CCCCOC1=CC=CC(=C1)OC(=O)C(CC)CC/C(=C/CN2C=CN=C2)/ON

InChI

InChI=1S/C22H31N3O4/c1-3-5-15-27-20-7-6-8-21(16-20)28-22(26)18(4-2)9-10-19(29-23)11-13-25-14-12-24-17-25/h6-8,11-12,14,16-18H,3-5,9-10,13,15,23H2,1-2H3/b19-11-