3-[1-[4-[3-(2-methanoyl-4-methoxycarbonyl-phenoxy)propoxy]phenyl]-4-phenyl-butyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-[4-[3-(2-methanoyl-4-methoxycarbonyl-phenoxy)propoxy]phenyl]-4-phenyl-butyl]sulfanylpropanoic acid Openeye Name: 3-[1-[4-[3-(2-formyl-4-methoxycarbonyl-phenoxy)propoxy]phenyl]-4-phenyl-butyl]sulfanylpropanoic acid CAS Name: 3-[[1-[4-[3-(2-formyl-4-methoxycarbonylphenoxy)propoxy]phenyl]-4-phenylbutyl]thio]propanoic acid IUPAC Name: 3-[1-[4-[3-(2-formyl-4-methoxycarbonylphenoxy)propoxy]phenyl]-4-phenylbutyl]sulfanylpropanoic acid Traditional Name: 3-[[1-[4-[3-(4-carbomethoxy-2-formyl-phenoxy)propoxy]phenyl]-4-phenyl-butyl]thio]propionic acid Formula: C31H34O7S MolecularWeight: 550.66246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)C(CCCC3=CC=CC=C3)SCCC(=O)O)C=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)C(CCCC3=CC=CC=C3)SCCC(=O)O)C=O

InChI

InChI=1S/C31H34O7S/c1-36-31(35)25-13-16-28(26(21-25)22-32)38-19-6-18-37-27-14-11-24(12-15-27)29(39-20-17-30(33)34)10-5-9-23-7-3-2-4-8-23/h2-4,7-8,11-16,21-22,29H,5-6,9-10,17-20H2,1H3,(H,33,34)