[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate CAS Name: (E)-3-(4-tert-butylphenyl)-2-propenoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-tert-butylphenyl)acrylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C=CC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C25H27N3O2/c1-17-15-18(2)27-24(26-17)28-21-7-6-8-22(16-21)30-23(29)14-11-19-9-12-20(13-10-19)25(3,4)5/h6-16H,1-5H3,(H,26,27,28)/b14-11+