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(4-decylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate

(4-decylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name:(4-decylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate
Openeye Name:(4-decylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate
CAS Name:2-cyano-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-decylphenyl) ester
IUPAC Name:(4-decylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate
Traditional Name:2-cyano-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-decylphenyl) ester
Formula: C35H45N3O2
MolecularWeight: 539.7507
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N


Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N


InChI

InChI=1S/C35H45N3O2/c1-3-5-7-9-10-11-13-14-16-28-18-21-32(22-19-28)40-35(39)33-23-20-30(24-31(33)25-36)34-37-26-29(27-38-34)17-15-12-8-6-4-2/h18-24,26-27H,3-17H2,1-2H3


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