[2-(4-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H21NO3/c1-2-3-4-17-9-12-20(13-10-17)21(24)16-26-22(25)14-11-18-5-7-19(15-23)8-6-18/h5-14H,2-4,16H2,1H3/b14-11+