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octyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]-3-oxidanylidene-propanoate

octyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]-3-oxidanylidene-propanoate

Systemtic Name:octyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]-3-oxidanylidene-propanoate
Openeye Name:octyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]-3-oxo-propanoate
CAS Name:2-[4-(5-octyl-2-pyrimidinyl)phenyl]-3-oxopropanoic acid octyl ester
IUPAC Name:octyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]-3-oxopropanoate
Traditional Name:3-keto-2-[4-(5-octylpyrimidin-2-yl)phenyl]propionic acid octyl ester
Formula: C29H42N2O3
MolecularWeight: 466.65538
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C=O)C(=O)OCCCCCCCC


Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C=O)C(=O)OCCCCCCCC


InChI

InChI=1S/C29H42N2O3/c1-3-5-7-9-11-13-15-24-21-30-28(31-22-24)26-18-16-25(17-19-26)27(23-32)29(33)34-20-14-12-10-8-6-4-2/h16-19,21-23,27H,3-15,20H2,1-2H3


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