(4-heptoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate

Systemtic Name: (4-heptoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: (4-heptoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-nonyl-2-pyrimidinyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoic acid (4-heptoxyphenyl) ester Formula: C35H42N4O3 MolecularWeight: 566.73298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)C#N)C#N

InChI

InChI=1S/C35H42N4O3/c1-3-5-7-9-10-11-13-15-27-25-38-34(39-26-27)30-20-21-31(33(24-37)32(30)23-36)35(40)42-29-18-16-28(17-19-29)41-22-14-12-8-6-4-2/h16-21,25-26H,3-15,22H2,1-2H3