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octan-2-yl 3-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate

octan-2-yl 3-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate

Systemtic Name:octan-2-yl 3-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate
Openeye Name:1-methylheptyl 3-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate
CAS Name:3-[4-(5-decyl-2-pyrimidinyl)phenyl]propanoic acid octan-2-yl ester
IUPAC Name:octan-2-yl 3-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate
Traditional Name:3-[4-(5-decylpyrimidin-2-yl)phenyl]propionic acid 1-methylheptyl ester
Formula: C31H48N2O2
MolecularWeight: 480.72502
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OC(C)CCCCCC


Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OC(C)CCCCCC


InChI

InChI=1S/C31H48N2O2/c1-4-6-8-10-11-12-13-15-17-28-24-32-31(33-25-28)29-21-18-27(19-22-29)20-23-30(34)35-26(3)16-14-9-7-5-2/h18-19,21-22,24-26H,4-17,20,23H2,1-3H3


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