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

Systemtic Name: 3-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxybutan-2-yl octanoate Openeye Name: [2-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxy-1-methyl-propyl] octanoate CAS Name: octanoic 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 octanoate Traditional Name: caprylic acid [2-[(E)-2-cyano-3-phenyl-acryloyl]oxy-1-methyl-propyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-4-5-6-7-11-14-21(24)26-17(2)18(3)27-22(25)20(16-23)15-19-12-9-8-10-13-19/h8-10,12-13,15,17-18H,4-7,11,14H2,1-3H3/b20-15+