6-(1-imidazol-1-yl-3-phenoxy-propan-2-yl)oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-imidazol-1-yl-3-phenoxy-propan-2-yl)oxy-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(imidazol-1-ylmethyl)-2-phenoxy-ethoxy]-6-oxo-hexanoic acid CAS Name: 6-[1-(1-imidazolyl)-3-phenoxypropan-2-yl]oxy-6-oxohexanoic acid IUPAC Name: 6-(1-imidazol-1-yl-3-phenoxypropan-2-yl)oxy-6-oxohexanoic acid Traditional Name: 6-[1-(imidazol-1-ylmethyl)-2-phenoxy-ethoxy]-6-keto-hexanoic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CN2C=CN=C2)OC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CN2C=CN=C2)OC(=O)CCCCC(=O)O

InChI

InChI=1S/C18H22N2O5/c21-17(22)8-4-5-9-18(23)25-16(12-20-11-10-19-14-20)13-24-15-6-2-1-3-7-15/h1-3,6-7,10-11,14,16H,4-5,8-9,12-13H2,(H,21,22)