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

Systemtic Name: prop-2-enyl 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate Openeye Name: allyl 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate CAS Name: 2-cyano-2-[(2-ethynylphenyl)methyl]-4-pentenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate Traditional Name: 2-cyano-2-(2-ethynylbenzyl)pent-4-enoic acid allyl ester Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CC=CC=C1C#C)(C#N)C(=O)OCC=C

Isomeric SMILES

C=CCC(CC1=CC=CC=C1C#C)(C#N)C(=O)OCC=C

InChI

InChI=1S/C18H17NO2/c1-4-11-18(14-19,17(20)21-12-5-2)13-16-10-8-7-9-15(16)6-3/h3-5,7-10H,1-2,11-13H2