[2-methoxy-4-[3-oxidanylidene-7-(4-phenoxyphenyl)-5-phenylmethoxy-heptyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[3-oxidanylidene-7-(4-phenoxyphenyl)-5-phenylmethoxy-heptyl]phenyl] benzoate Openeye Name: [4-[5-benzyloxy-3-oxo-7-(4-phenoxyphenyl)heptyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[3-oxo-7-(4-phenoxyphenyl)-5-phenylmethoxyheptyl]phenyl] ester IUPAC Name: [2-methoxy-4-[3-oxo-7-(4-phenoxyphenyl)-5-phenylmethoxyheptyl]phenyl] benzoate Traditional Name: benzoic acid [4-[5-benzoxy-3-keto-7-(4-phenoxyphenyl)heptyl]-2-methoxy-phenyl] ester Formula: C40H38O6 MolecularWeight: 614.72612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H38O6/c1-43-39-27-31(21-26-38(39)46-40(42)33-13-7-3-8-14-33)17-22-34(41)28-37(44-29-32-11-5-2-6-12-32)25-20-30-18-23-36(24-19-30)45-35-15-9-4-10-16-35/h2-16,18-19,21,23-24,26-27,37H,17,20,22,25,28-29H2,1H3