(2-cyano-4-pentyl-phenyl) 3-cyano-4-pentoxy-benzoate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 3-cyano-4-pentoxy-benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 3-cyano-4-pentoxy-benzoate CAS Name: 3-cyano-4-pentoxybenzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 3-cyano-4-pentoxybenzoate Traditional Name: 4-amoxy-3-cyano-benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCCCC)C#N)C#N

InChI

InChI=1S/C25H28N2O3/c1-3-5-7-9-19-10-12-24(21(15-19)17-26)30-25(28)20-11-13-23(22(16-20)18-27)29-14-8-6-4-2/h10-13,15-16H,3-9,14H2,1-2H3