[4-(4-cyanophenyl)phenyl] 3-(4-butoxyphenyl)-2-methyl-propanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(4-butoxyphenyl)-2-methyl-propanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(4-butoxyphenyl)-2-methyl-propanoate CAS Name: 3-(4-butoxyphenyl)-2-methylpropanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(4-butoxyphenyl)-2-methylpropanoate Traditional Name: 3-(4-butoxyphenyl)-2-methyl-propionic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(C)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(C)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H27NO3/c1-3-4-17-30-25-13-7-21(8-14-25)18-20(2)27(29)31-26-15-11-24(12-16-26)23-9-5-22(19-28)6-10-23/h5-16,20H,3-4,17-18H2,1-2H3