2-cyanoethyl 4-(4-octoxyphenyl)benzoate

Systemtic Name: 2-cyanoethyl 4-(4-octoxyphenyl)benzoate Openeye Name: 2-cyanoethyl 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid 2-cyanoethyl ester Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC#N

InChI

InChI=1S/C24H29NO3/c1-2-3-4-5-6-7-18-27-23-15-13-21(14-16-23)20-9-11-22(12-10-20)24(26)28-19-8-17-25/h9-16H,2-8,18-19H2,1H3