[4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-(4-pyridyl)vinyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C21H17NO2 MolecularWeight: 315.36518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C21H17NO2/c1-16-2-8-19(9-3-16)21(23)24-20-10-6-17(7-11-20)4-5-18-12-14-22-15-13-18/h2-15H,1H3/b5-4+