(4-phenylmethoxyphenyl) octanoate

Systemtic Name: (4-phenylmethoxyphenyl) octanoate Openeye Name: (4-benzyloxyphenyl) octanoate CAS Name: octanoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) octanoate Traditional Name: caprylic acid (4-benzoxyphenyl) ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26O3/c1-2-3-4-5-9-12-21(22)24-20-15-13-19(14-16-20)23-17-18-10-7-6-8-11-18/h6-8,10-11,13-16H,2-5,9,12,17H2,1H3