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

Systemtic Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-methoxybenzoate Openeye Name: [4-[(E)-2-(4-pyridyl)vinyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C21H17NO3/c1-24-20-4-2-3-18(15-20)21(23)25-19-9-7-16(8-10-19)5-6-17-11-13-22-14-12-17/h2-15H,1H3/b6-5+