ethyl (E)-2-cyano-3-[4-(3-dodecoxy-2-oxidanyl-propoxy)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-(3-dodecoxy-2-oxidanyl-propoxy)phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-(3-dodecoxy-2-hydroxy-propoxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(3-dodecoxy-2-hydroxypropoxy)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(3-dodecoxy-2-hydroxypropoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(2-hydroxy-3-lauryloxy-propoxy)phenyl]acrylic acid ethyl ester Formula: C27H41NO5 MolecularWeight: 459.61814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC)O

Isomeric SMILES

CCCCCCCCCCCCOCC(COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC)O

InChI

InChI=1S/C27H41NO5/c1-3-5-6-7-8-9-10-11-12-13-18-31-21-25(29)22-33-26-16-14-23(15-17-26)19-24(20-28)27(30)32-4-2/h14-17,19,25,29H,3-13,18,21-22H2,1-2H3/b24-19+