[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H25N3O3/c1-3-33-24-14-9-21(10-15-24)11-18-28(32)34-25-16-12-23(13-17-25)31-27-19-26(29-20(2)30-27)22-7-5-4-6-8-22/h4-19H,3H2,1-2H3,(H,29,30,31)/b18-11+