[4-[3-oxidanylidene-1-[4-(3-phenylpropanoyloxy)phenyl]-2-benzofuran-1-yl]phenyl] 3-phenylpropanoate

Systemtic Name: [4-[3-oxidanylidene-1-[4-(3-phenylpropanoyloxy)phenyl]-2-benzofuran-1-yl]phenyl] 3-phenylpropanoate Openeye Name: [4-[3-oxo-1-[4-(3-phenylpropanoyloxy)phenyl]isobenzofuran-1-yl]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[3-oxo-1-[4-(1-oxo-3-phenylpropoxy)phenyl]-1-isobenzofuranyl]phenyl] ester IUPAC Name: [4-[3-oxo-1-[4-(3-phenylpropanoyloxy)phenyl]-2-benzofuran-1-yl]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[1-(4-hydrocinnamoyloxyphenyl)-3-keto-phthalan-1-yl]phenyl] ester Formula: C38H30O6 MolecularWeight: 582.6412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC2=CC=C(C=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)OC(=O)CCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC2=CC=C(C=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)OC(=O)CCC6=CC=CC=C6

InChI

InChI=1S/C38H30O6/c39-35(25-15-27-9-3-1-4-10-27)42-31-21-17-29(18-22-31)38(34-14-8-7-13-33(34)37(41)44-38)30-19-23-32(24-20-30)43-36(40)26-16-28-11-5-2-6-12-28/h1-14,17-24H,15-16,25-26H2