heptyl (Z)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: heptyl (Z)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: heptyl (Z)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (Z)-2-cyano-3-phenyl-2-propenoic acid heptyl ester IUPAC Name: heptyl (Z)-2-cyano-3-phenylprop-2-enoate Traditional Name: (Z)-2-cyano-3-phenyl-acrylic acid heptyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(=CC1=CC=CC=C1)C#N

Isomeric SMILES

CCCCCCCOC(=O)/C(=C\C1=CC=CC=C1)/C#N

InChI

InChI=1S/C17H21NO2/c1-2-3-4-5-9-12-20-17(19)16(14-18)13-15-10-7-6-8-11-15/h6-8,10-11,13H,2-5,9,12H2,1H3/b16-13-