(phenylmethyl) 2-cyano-3-propyl-hex-2-enoate

Systemtic Name: (phenylmethyl) 2-cyano-3-propyl-hex-2-enoate Openeye Name: benzyl 2-cyano-3-propyl-hex-2-enoate CAS Name: 2-cyano-3-propyl-2-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-3-propylhex-2-enoate Traditional Name: 2-cyano-3-propyl-hex-2-enoic acid benzyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(C#N)C(=O)OCC1=CC=CC=C1)CCC

Isomeric SMILES

CCCC(=C(C#N)C(=O)OCC1=CC=CC=C1)CCC

InChI

InChI=1S/C17H21NO2/c1-3-8-15(9-4-2)16(12-18)17(19)20-13-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,13H2,1-2H3