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2-decoxypropyl 4-(5-heptylpyrimidin-2-yl)benzoate

2-decoxypropyl 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name:2-decoxypropyl 4-(5-heptylpyrimidin-2-yl)benzoate
Openeye Name:2-decoxypropyl 4-(5-heptylpyrimidin-2-yl)benzoate
CAS Name:4-(5-heptyl-2-pyrimidinyl)benzoic acid 2-decoxypropyl ester
IUPAC Name:2-decoxypropyl 4-(5-heptylpyrimidin-2-yl)benzoate
Traditional Name:4-(5-heptylpyrimidin-2-yl)benzoic acid 2-decoxypropyl ester
Formula: C31H48N2O3
MolecularWeight: 496.72442
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(C)COC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC


Isomeric SMILES

CCCCCCCCCCOC(C)COC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC


InChI

InChI=1S/C31H48N2O3/c1-4-6-8-10-11-12-14-16-22-35-26(3)25-36-31(34)29-20-18-28(19-21-29)30-32-23-27(24-33-30)17-15-13-9-7-5-2/h18-21,23-24,26H,4-17,22,25H2,1-3H3


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