[2-cyano-6-(4-methylphenyl)hept-1-en-3-yl] ethanoate

Systemtic Name: [2-cyano-6-(4-methylphenyl)hept-1-en-3-yl] ethanoate Openeye Name: [1-(1-cyanovinyl)-4-(p-tolyl)pentyl] acetate CAS Name: acetic acid [2-cyano-6-(4-methylphenyl)hept-1-en-3-yl] ester IUPAC Name: [2-cyano-6-(4-methylphenyl)hept-1-en-3-yl] acetate Traditional Name: acetic acid [2-cyano-1-[3-(p-tolyl)butyl]allyl] ester Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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