pyridin-3-ylmethyl (E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoate

Systemtic Name: pyridin-3-ylmethyl (E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoate Openeye Name: 3-pyridylmethyl (E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoate CAS Name: (E)-3-(4-dodecoxyphenyl)-2-methyl-2-propenoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl (E)-3-(4-dodecoxyphenyl)-2-methylprop-2-enoate Traditional Name: (E)-3-(4-lauryloxyphenyl)-2-methyl-acrylic acid 3-pyridylmethyl ester Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=C(C)C(=O)OCC2=CN=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C)/C(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C28H39NO3/c1-3-4-5-6-7-8-9-10-11-12-20-31-27-17-15-25(16-18-27)21-24(2)28(30)32-23-26-14-13-19-29-22-26/h13-19,21-22H,3-12,20,23H2,1-2H3/b24-21+