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3-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxybutan-2-yl undecanoate

3-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxybutan-2-yl undecanoate

Systemtic Name:3-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxybutan-2-yl undecanoate
Openeye Name:[2-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxy-1-methyl-propyl] undecanoate
CAS Name:undecanoic acid 3-[(E)-2-cyano-1-oxo-3-phenylprop-2-enoxy]butan-2-yl ester
IUPAC Name:3-[(E)-2-cyano-3-phenylprop-2-enoyl]oxybutan-2-yl undecanoate
Traditional Name:undecanoic acid [2-[(E)-2-cyano-3-phenyl-acryloyl]oxy-1-methyl-propyl] ester
Formula: C25H35NO4
MolecularWeight: 413.5497
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)C(=CC1=CC=CC=C1)C#N


Isomeric SMILES

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)/C(=C/C1=CC=CC=C1)/C#N


InChI

InChI=1S/C25H35NO4/c1-4-5-6-7-8-9-10-14-17-24(27)29-20(2)21(3)30-25(28)23(19-26)18-22-15-12-11-13-16-22/h11-13,15-16,18,20-21H,4-10,14,17H2,1-3H3/b23-18+


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