(phenylmethyl) 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate

Systemtic Name: (phenylmethyl) 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate Openeye Name: benzyl 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate CAS Name: 2-cyano-2-[(2-ethynylphenyl)methyl]-4-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate Traditional Name: 2-cyano-2-(2-ethynylbenzyl)pent-4-enoic acid benzyl ester Formula: C22H19NO2 MolecularWeight: 329.39176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CC=CC=C1C#C)(C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=CCC(CC1=CC=CC=C1C#C)(C#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H19NO2/c1-3-14-22(17-23,15-20-13-9-8-12-19(20)4-2)21(24)25-16-18-10-6-5-7-11-18/h2-3,5-13H,1,14-16H2