[4-(4-cyanophenyl)phenyl] 4-heptoxybenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-heptoxybenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H27NO3/c1-2-3-4-5-6-19-30-25-15-13-24(14-16-25)27(29)31-26-17-11-23(12-18-26)22-9-7-21(20-28)8-10-22/h7-18H,2-6,19H2,1H3