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

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chlorophenyl)acrylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H18ClN3O2 MolecularWeight: 427.88232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C25H18ClN3O2/c26-22-12-5-4-7-18(22)13-14-25(30)31-21-11-6-10-20(15-21)29-24-16-23(27-17-28-24)19-8-2-1-3-9-19/h1-17H,(H,27,28,29)/b14-13+