2-cyanoethyl 4-(4-heptylphenyl)benzoate

Systemtic Name: 2-cyanoethyl 4-(4-heptylphenyl)benzoate Openeye Name: 2-cyanoethyl 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid 2-cyanoethyl ester Formula: C23H27NO2 MolecularWeight: 349.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC#N

InChI

InChI=1S/C23H27NO2/c1-2-3-4-5-6-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(25)26-18-7-17-24/h9-16H,2-8,18H2,1H3