[3-cyano-4-(2-methylbutoxy)phenyl] 4-(4-decoxyphenyl)benzoate

Systemtic Name: [3-cyano-4-(2-methylbutoxy)phenyl] 4-(4-decoxyphenyl)benzoate Openeye Name: [3-cyano-4-(2-methylbutoxy)phenyl] 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic acid [3-cyano-4-(2-methylbutoxy)phenyl] ester IUPAC Name: [3-cyano-4-(2-methylbutoxy)phenyl] 4-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid [3-cyano-4-(2-methylbutoxy)phenyl] ester Formula: C35H43NO4 MolecularWeight: 541.72022

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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)OCC(C)CC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C35H43NO4/c1-4-6-7-8-9-10-11-12-23-38-32-19-17-29(18-20-32)28-13-15-30(16-14-28)35(37)40-33-21-22-34(31(24-33)25-36)39-26-27(3)5-2/h13-22,24,27H,4-12,23,26H2,1-3H3