[4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-(2-pyridyl)vinyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C21H17NO2 MolecularWeight: 315.36518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=CC3=CC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C21H17NO2/c1-16-5-4-6-18(15-16)21(23)24-20-12-9-17(10-13-20)8-11-19-7-2-3-14-22-19/h2-15H,1H3/b11-8+