[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4/c1-32-23-13-14-25(33-2)20(16-23)8-15-27(31)34-22-11-9-21(10-12-22)30-26-17-24(28-18-29-26)19-6-4-3-5-7-19/h3-18H,1-2H3,(H,28,29,30)/b15-8+