1-cyanoethyl 2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)benzoate

Systemtic Name: 1-cyanoethyl 2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)benzoate Openeye Name: 1-cyanoethyl 2,3-difluoro-4-(4-heptoxyphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-heptoxyphenyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2,3-difluoro-4-(4-heptoxyphenyl)benzoate Traditional Name: 2,3-difluoro-4-(4-heptoxyphenyl)benzoic acid 1-cyanoethyl ester Formula: C23H25F2NO3 MolecularWeight: 401.446306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC(C)C#N)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC(C)C#N)F)F

InChI

InChI=1S/C23H25F2NO3/c1-3-4-5-6-7-14-28-18-10-8-17(9-11-18)19-12-13-20(22(25)21(19)24)23(27)29-16(2)15-26/h8-13,16H,3-7,14H2,1-2H3