(E)-6-[(4-methoxycarbonylphenyl)methyl]-9-[4-(4-phenoxybutoxy)phenyl]non-7-enoic acid

Systemtic Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-9-[4-(4-phenoxybutoxy)phenyl]non-7-enoic acid Openeye Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-9-[4-(4-phenoxybutoxy)phenyl]non-7-enoic acid CAS Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-9-[4-(4-phenoxybutoxy)phenyl]-7-nonenoic acid IUPAC Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-9-[4-(4-phenoxybutoxy)phenyl]non-7-enoic acid Traditional Name: (E)-6-(4-carbomethoxybenzyl)-9-[4-(4-phenoxybutoxy)phenyl]non-7-enoic acid Formula: C34H40O6 MolecularWeight: 544.6778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(CCCCC(=O)O)C=CCC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(CCCCC(=O)O)/C=C/CC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C34H40O6/c1-38-34(37)30-20-16-29(17-21-30)26-28(10-5-6-15-33(35)36)12-9-11-27-18-22-32(23-19-27)40-25-8-7-24-39-31-13-3-2-4-14-31/h2-4,9,12-14,16-23,28H,5-8,10-11,15,24-26H2,1H3,(H,35,36)/b12-9+