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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO2/c1-16-3-2-4-19(15-16)21(23)24-20-9-7-17(8-10-20)5-6-18-11-13-22-14-12-18/h2-15H,1H3/b6-5+