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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-propoxyphenyl)-2-propenoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-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=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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