(phenylmethyl) 5-(3-hexoxyphenyl)-2-(hydroxymethyl)-3-oxidanyl-pentanoate

Systemtic Name: (phenylmethyl) 5-(3-hexoxyphenyl)-2-(hydroxymethyl)-3-oxidanyl-pentanoate Openeye Name: benzyl 5-(3-hexoxyphenyl)-3-hydroxy-2-(hydroxymethyl)pentanoate CAS Name: 5-(3-hexoxyphenyl)-3-hydroxy-2-(hydroxymethyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(3-hexoxyphenyl)-3-hydroxy-2-(hydroxymethyl)pentanoate Traditional Name: 5-(3-hexoxyphenyl)-3-hydroxy-2-methylol-valeric acid benzyl ester Formula: C25H34O5 MolecularWeight: 414.53446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)CCC(C(CO)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)CCC(C(CO)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C25H34O5/c1-2-3-4-8-16-29-22-13-9-12-20(17-22)14-15-24(27)23(18-26)25(28)30-19-21-10-6-5-7-11-21/h5-7,9-13,17,23-24,26-27H,2-4,8,14-16,18-19H2,1H3