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

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) 3-methylbenzoate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) 3-methylbenzoate Traditional Name: 3-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(=CC=C2)C)C#N)C#N

Isomeric SMILES

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

InChI

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