[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O4/c1-3-34-25-15-9-20(17-26(25)33-2)10-16-28(32)35-23-13-11-22(12-14-23)31-27-18-24(29-19-30-27)21-7-5-4-6-8-21/h4-19H,3H2,1-2H3,(H,29,30,31)/b16-10+