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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O3/c1-2-18-33-26-11-7-6-10-22(26)12-17-28(32)34-24-15-13-23(14-16-24)31-27-19-25(29-20-30-27)21-8-4-3-5-9-21/h3-17,19-20H,2,18H2,1H3,(H,29,30,31)/b17-12+