[4-cyano-2,3-bis(fluoranyl)phenyl] 4-heptoxybenzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-heptoxybenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C21H21F2NO3 MolecularWeight: 373.393146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C21H21F2NO3/c1-2-3-4-5-6-13-26-17-10-7-15(8-11-17)21(25)27-18-12-9-16(14-24)19(22)20(18)23/h7-12H,2-6,13H2,1H3