(2,3-dicyano-4-pentoxy-phenyl) 4-pentoxybenzoate

Systemtic Name: (2,3-dicyano-4-pentoxy-phenyl) 4-pentoxybenzoate Openeye Name: (2,3-dicyano-4-pentoxy-phenyl) 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid (2,3-dicyano-4-pentoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-pentoxyphenyl) 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid (4-amoxy-2,3-dicyano-phenyl) ester Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCC)C#N)C#N

InChI

InChI=1S/C25H28N2O4/c1-3-5-7-15-29-20-11-9-19(10-12-20)25(28)31-24-14-13-23(30-16-8-6-4-2)21(17-26)22(24)18-27/h9-14H,3-8,15-16H2,1-2H3