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

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) 4-butoxybenzoate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (2,3-dicyano-4-heptoxy-phenyl) ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-3-5-7-8-9-17-31-24-14-15-25(23(19-28)22(24)18-27)32-26(29)20-10-12-21(13-11-20)30-16-6-4-2/h10-15H,3-9,16-17H2,1-2H3