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

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) 4-pentylbenzoate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (2,3-dicyano-4-heptoxy-phenyl) ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3/c1-3-5-7-8-10-18-31-25-16-17-26(24(20-29)23(25)19-28)32-27(30)22-14-12-21(13-15-22)11-9-6-4-2/h12-17H,3-11,18H2,1-2H3