[2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-tert-butylbenzoate Openeye Name: [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H27NO3/c1-5-29-24-18-20(7-6-19-14-16-27-17-15-19)8-13-23(24)30-25(28)21-9-11-22(12-10-21)26(2,3)4/h6-18H,5H2,1-4H3/b7-6+