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

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

Systemtic Name:octan-2-yl 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butanoate
Openeye Name:1-methylheptyl 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butanoate
CAS Name:3-[4-(5-nonyl-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester
IUPAC Name:octan-2-yl 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butanoate
Traditional Name:3-[4-(5-nonylpyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester
Formula: C31H48N2O2
MolecularWeight: 480.72502
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC


Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC


InChI

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


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