(2,3-dicyano-4-heptoxy-phenyl) 4-methylbenzoate

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) 4-methylbenzoate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2,3-dicyano-4-heptoxy-phenyl) ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3/c1-3-4-5-6-7-14-27-21-12-13-22(20(16-25)19(21)15-24)28-23(26)18-10-8-17(2)9-11-18/h8-13H,3-7,14H2,1-2H3