(phenylmethyl) 2-(hydroxymethyl)-3-oxidanyl-5-[3-(4-phenylbutyl)phenyl]pentanoate

Systemtic Name: (phenylmethyl) 2-(hydroxymethyl)-3-oxidanyl-5-[3-(4-phenylbutyl)phenyl]pentanoate Openeye Name: benzyl 3-hydroxy-2-(hydroxymethyl)-5-[3-(4-phenylbutyl)phenyl]pentanoate CAS Name: 3-hydroxy-2-(hydroxymethyl)-5-[3-(4-phenylbutyl)phenyl]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxy-2-(hydroxymethyl)-5-[3-(4-phenylbutyl)phenyl]pentanoate Traditional Name: 3-hydroxy-2-methylol-5-[3-(4-phenylbutyl)phenyl]valeric acid benzyl ester Formula: C29H34O4 MolecularWeight: 446.57786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=CC(=CC=C2)CCC(C(CO)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=CC(=CC=C2)CCC(C(CO)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C29H34O4/c30-21-27(29(32)33-22-26-14-5-2-6-15-26)28(31)19-18-25-17-9-16-24(20-25)13-8-7-12-23-10-3-1-4-11-23/h1-6,9-11,14-17,20,27-28,30-31H,7-8,12-13,18-19,21-22H2