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octan-2-yl 3-[4-(5-nonoxypyrimidin-2-yl)phenyl]butanoate

octan-2-yl 3-[4-(5-nonoxypyrimidin-2-yl)phenyl]butanoate

Systemtic Name:octan-2-yl 3-[4-(5-nonoxypyrimidin-2-yl)phenyl]butanoate
Openeye Name:1-methylheptyl 3-[4-(5-nonoxypyrimidin-2-yl)phenyl]butanoate
CAS Name:3-[4-(5-nonoxy-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester
IUPAC Name:octan-2-yl 3-[4-(5-nonoxypyrimidin-2-yl)phenyl]butanoate
Traditional Name:3-[4-(5-nonoxypyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester
Formula: C31H48N2O3
MolecularWeight: 496.72442
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC


Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC


InChI

InChI=1S/C31H48N2O3/c1-5-7-9-11-12-13-15-21-35-29-23-32-31(33-24-29)28-19-17-27(18-20-28)25(3)22-30(34)36-26(4)16-14-10-8-6-2/h17-20,23-26H,5-16,21-22H2,1-4H3


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