[4-(4-butyl-2-cyano-phenoxy)carbonylphenyl] 4-hexoxybenzoate

Systemtic Name: [4-(4-butyl-2-cyano-phenoxy)carbonylphenyl] 4-hexoxybenzoate Openeye Name: [4-(4-butyl-2-cyano-phenoxy)carbonylphenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-[(4-butyl-2-cyanophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-butyl-2-cyanophenoxy)carbonylphenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-(4-butyl-2-cyano-phenoxy)carbonylphenyl] ester Formula: C31H33NO5 MolecularWeight: 499.59742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

InChI

InChI=1S/C31H33NO5/c1-3-5-7-8-20-35-27-15-11-24(12-16-27)30(33)36-28-17-13-25(14-18-28)31(34)37-29-19-10-23(9-6-4-2)21-26(29)22-32/h10-19,21H,3-9,20H2,1-2H3