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octan-2-yl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate

octan-2-yl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate

Systemtic Name:octan-2-yl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate
Openeye Name:1-methylheptyl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate
CAS Name:(E)-3-[4-(5-decyl-2-pyrimidinyl)phenyl]-2-propenoic acid octan-2-yl ester
IUPAC Name:octan-2-yl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate
Traditional Name:(E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]acrylic acid 1-methylheptyl ester
Formula: C31H46N2O2
MolecularWeight: 478.70914
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C31H46N2O2/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/h18-26H,4-17H2,1-3H3/b23-20+


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