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

Systemtic Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-octoxybenzoate Openeye Name: [4-[(E)-2-(4-pyridyl)vinyl]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC3=CC=NC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C28H31NO3/c1-2-3-4-5-6-7-22-31-26-16-12-25(13-17-26)28(30)32-27-14-10-23(11-15-27)8-9-24-18-20-29-21-19-24/h8-21H,2-7,22H2,1H3/b9-8+