4-[1-cyano-2-[4-(4-octoxyphenyl)phenyl]cyclohexyl]butyl 2-methylprop-2-enoate

Systemtic Name: 4-[1-cyano-2-[4-(4-octoxyphenyl)phenyl]cyclohexyl]butyl 2-methylprop-2-enoate Openeye Name: 4-[1-cyano-2-[4-(4-octoxyphenyl)phenyl]cyclohexyl]butyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 4-[1-cyano-2-[4-(4-octoxyphenyl)phenyl]cyclohexyl]butyl ester IUPAC Name: 4-[1-cyano-2-[4-(4-octoxyphenyl)phenyl]cyclohexyl]butyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 4-[1-cyano-2-[4-(4-octoxyphenyl)phenyl]cyclohexyl]butyl ester Formula: C35H47NO3 MolecularWeight: 529.75258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCOC(=O)C(=C)C)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCOC(=O)C(=C)C)C#N

InChI

InChI=1S/C35H47NO3/c1-4-5-6-7-8-12-25-38-32-21-19-30(20-22-32)29-15-17-31(18-16-29)33-14-9-10-23-35(33,27-36)24-11-13-26-39-34(37)28(2)3/h15-22,33H,2,4-14,23-26H2,1,3H3