(4-cyanophenyl) 4-[2-(hydroxymethyl)hexoxy]benzoate

Systemtic Name: (4-cyanophenyl) 4-[2-(hydroxymethyl)hexoxy]benzoate Openeye Name: (4-cyanophenyl) 4-[2-(hydroxymethyl)hexoxy]benzoate CAS Name: 4-[2-(hydroxymethyl)hexoxy]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[2-(hydroxymethyl)hexoxy]benzoate Traditional Name: 4-(2-methylolhexoxy)benzoic acid (4-cyanophenyl) ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CO)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC(CO)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NO4/c1-2-3-4-17(14-23)15-25-19-11-7-18(8-12-19)21(24)26-20-9-5-16(13-22)6-10-20/h5-12,17,23H,2-4,14-15H2,1H3