methyl 3-[3-[3-cyclopentyl-2-[(4-methoxyphenyl)methoxy]phenyl]-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-[3-cyclopentyl-2-[(4-methoxyphenyl)methoxy]phenyl]-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-[3-cyclopentyl-2-[(4-methoxyphenyl)methoxy]phenyl]-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-[3-cyclopentyl-2-[(4-methoxyphenyl)methoxy]phenyl]-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[3-cyclopentyl-2-[(4-methoxyphenyl)methoxy]phenyl]-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(3-cyclopentyl-2-p-anisyloxy-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C26H34O5S MolecularWeight: 458.61016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=C(C=CC=C2CC(CSCCC(=O)OC)O)C3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)COC2=C(C=CC=C2CC(CSCCC(=O)OC)O)C3CCCC3

InChI

InChI=1S/C26H34O5S/c1-29-23-12-10-19(11-13-23)17-31-26-21(8-5-9-24(26)20-6-3-4-7-20)16-22(27)18-32-15-14-25(28)30-2/h5,8-13,20,22,27H,3-4,6-7,14-18H2,1-2H3