(4-pentoxyphenyl) 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-decyl-2-pyrimidinyl)benzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoic acid (4-amoxyphenyl) ester Formula: C34H40N4O3 MolecularWeight: 552.7064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)C#N)C#N

InChI

InChI=1S/C34H40N4O3/c1-3-5-7-8-9-10-11-12-14-26-24-37-33(38-25-26)29-19-20-30(32(23-36)31(29)22-35)34(39)41-28-17-15-27(16-18-28)40-21-13-6-4-2/h15-20,24-25H,3-14,21H2,1-2H3