(4-decoxyphenyl)carbonyl 3-cyano-2-(4-heptoxyphenyl)benzoate

Systemtic Name: (4-decoxyphenyl)carbonyl 3-cyano-2-(4-heptoxyphenyl)benzoate Openeye Name: (4-decoxybenzoyl) 3-cyano-2-(4-heptoxyphenyl)benzoate CAS Name: 3-cyano-2-(4-heptoxyphenyl)benzoic acid [(4-decoxyphenyl)-oxomethyl] ester IUPAC Name: (4-decoxybenzoyl) 3-cyano-2-(4-heptoxyphenyl)benzoate Traditional Name: 3-cyano-2-(4-heptoxyphenyl)benzoic acid (4-decoxybenzoyl) ester Formula: C38H47NO5 MolecularWeight: 597.78348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC(=C2C3=CC=C(C=C3)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC(=C2C3=CC=C(C=C3)OCCCCCCC)C#N

InChI

InChI=1S/C38H47NO5/c1-3-5-7-9-10-11-13-15-28-43-34-25-21-31(22-26-34)37(40)44-38(41)35-18-16-17-32(29-39)36(35)30-19-23-33(24-20-30)42-27-14-12-8-6-4-2/h16-26H,3-15,27-28H2,1-2H3