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

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) 4-heptylbenzoate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid (2,3-dicyano-4-heptoxy-phenyl) ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)C#N)C#N

InChI

InChI=1S/C29H36N2O3/c1-3-5-7-9-11-13-23-14-16-24(17-15-23)29(32)34-28-19-18-27(25(21-30)26(28)22-31)33-20-12-10-8-6-4-2/h14-19H,3-13,20H2,1-2H3