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

Systemtic Name: [4-(4-decoxyphenyl)phenyl] 4-(3-cyano-2-oxidanylidene-propoxy)benzoate Openeye Name: [4-(4-decoxyphenyl)phenyl] 4-(3-cyano-2-oxo-propoxy)benzoate CAS Name: 4-(3-cyano-2-oxopropoxy)benzoic acid [4-(4-decoxyphenyl)phenyl] ester IUPAC Name: [4-(4-decoxyphenyl)phenyl] 4-(3-cyano-2-oxopropoxy)benzoate Traditional Name: 4-(3-cyano-2-keto-propoxy)benzoic acid [4-(4-decoxyphenyl)phenyl] ester Formula: C33H37NO5 MolecularWeight: 527.65058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37NO5/c1-2-3-4-5-6-7-8-9-24-37-30-16-10-26(11-17-30)27-12-20-32(21-13-27)39-33(36)28-14-18-31(19-15-28)38-25-29(35)22-23-34/h10-21H,2-9,22,24-25H2,1H3