[4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-2-(2-acetamido-4-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)C=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H26N2O3/c1-18(29)28-24-17-20(15-16-27-24)6-5-19-7-13-23(14-8-19)31-25(30)21-9-11-22(12-10-21)26(2,3)4/h5-17H,1-4H3,(H,27,28,29)/b6-5+