(3-cyano-4-octan-2-yloxy-phenyl) 4-(4-decoxyphenyl)benzoate

Systemtic Name: (3-cyano-4-octan-2-yloxy-phenyl) 4-(4-decoxyphenyl)benzoate Openeye Name: [3-cyano-4-(1-methylheptoxy)phenyl] 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic acid (3-cyano-4-octan-2-yloxyphenyl) ester IUPAC Name: (3-cyano-4-octan-2-yloxyphenyl) 4-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid [3-cyano-4-(1-methylheptoxy)phenyl] ester Formula: C38H49NO4 MolecularWeight: 583.79996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)OC(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)OC(C)CCCCCC)C#N

InChI

InChI=1S/C38H49NO4/c1-4-6-8-10-11-12-13-15-27-41-35-23-21-32(22-24-35)31-17-19-33(20-18-31)38(40)43-36-25-26-37(34(28-36)29-39)42-30(3)16-14-9-7-5-2/h17-26,28,30H,4-16,27H2,1-3H3