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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)acrylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O2/c1-14-12-19(23-13-22-14)24-17-7-9-18(10-8-17)26-20(25)11-4-15-2-5-16(21)6-3-15/h2-13H,1H3,(H,22,23,24)/b11-4+