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5-methylheptyl 4-[4-(5-hexoxypyrimidin-2-yl)phenyl]benzoate

5-methylheptyl 4-[4-(5-hexoxypyrimidin-2-yl)phenyl]benzoate

Systemtic Name:5-methylheptyl 4-[4-(5-hexoxypyrimidin-2-yl)phenyl]benzoate
Openeye Name:5-methylheptyl 4-[4-(5-hexoxypyrimidin-2-yl)phenyl]benzoate
CAS Name:4-[4-(5-hexoxy-2-pyrimidinyl)phenyl]benzoic acid 5-methylheptyl ester
IUPAC Name:5-methylheptyl 4-[4-(5-hexoxypyrimidin-2-yl)phenyl]benzoate
Traditional Name:4-[4-(5-hexoxypyrimidin-2-yl)phenyl]benzoic acid 5-methylheptyl ester
Formula: C31H40N2O3
MolecularWeight: 488.6609
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCC(C)CC


Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCC(C)CC


InChI

InChI=1S/C31H40N2O3/c1-4-6-7-9-20-35-29-22-32-30(33-23-29)27-16-12-25(13-17-27)26-14-18-28(19-15-26)31(34)36-21-10-8-11-24(3)5-2/h12-19,22-24H,4-11,20-21H2,1-3H3


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