(E)-6-[(4-methoxycarbonylphenyl)methyl]-8-[2-(4-phenoxybutoxy)phenyl]oct-7-enoic acid

Systemtic Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-8-[2-(4-phenoxybutoxy)phenyl]oct-7-enoic acid Openeye Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-8-[2-(4-phenoxybutoxy)phenyl]oct-7-enoic acid CAS Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-8-[2-(4-phenoxybutoxy)phenyl]-7-octenoic acid IUPAC Name: (E)-6-[(4-methoxycarbonylphenyl)methyl]-8-[2-(4-phenoxybutoxy)phenyl]oct-7-enoic acid Traditional Name: (E)-6-(4-carbomethoxybenzyl)-8-[2-(4-phenoxybutoxy)phenyl]oct-7-enoic acid Formula: C33H38O6 MolecularWeight: 530.65122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(CCCCC(=O)O)C=CC2=CC=CC=C2OCCCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(CCCCC(=O)O)/C=C/C2=CC=CC=C2OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C33H38O6/c1-37-33(36)29-21-18-27(19-22-29)25-26(11-5-8-16-32(34)35)17-20-28-12-6-7-15-31(28)39-24-10-9-23-38-30-13-3-2-4-14-30/h2-4,6-7,12-15,17-22,26H,5,8-11,16,23-25H2,1H3,(H,34,35)/b20-17+