[4-(4-cyanophenyl)phenyl] 4-hexoxy-3-methoxy-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-hexoxy-3-methoxy-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-hexoxy-3-methoxy-benzoate CAS Name: 4-hexoxy-3-methoxybenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-hexoxy-3-methoxybenzoate Traditional Name: 4-hexoxy-3-methoxy-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C27H27NO4/c1-3-4-5-6-17-31-25-16-13-23(18-26(25)30-2)27(29)32-24-14-11-22(12-15-24)21-9-7-20(19-28)8-10-21/h7-16,18H,3-6,17H2,1-2H3