7-[1-cyano-2-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]heptyl prop-2-enoate

Systemtic Name: 7-[1-cyano-2-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]heptyl prop-2-enoate Openeye Name: 7-[1-cyano-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexyl]heptyl prop-2-enoate CAS Name: 2-propenoic acid 7-[1-cyano-2-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]heptyl ester IUPAC Name: 7-[1-cyano-2-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexyl]heptyl prop-2-enoate Traditional Name: acrylic acid 7-[1-cyano-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexyl]heptyl ester Formula: C37H51NO3 MolecularWeight: 557.80574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCOC(=O)C=C)C#N

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCOC(=O)C=C)C#N

InChI

InChI=1S/C37H51NO3/c1-4-6-7-11-16-30(3)41-34-24-22-32(23-25-34)31-18-20-33(21-19-31)35-17-12-14-27-37(35,29-38)26-13-9-8-10-15-28-40-36(39)5-2/h5,18-25,30,35H,2,4,6-17,26-28H2,1,3H3