[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OC2=CC=CC(=C2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC(=C2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H21N3O2/c1-15-7-9-18(10-8-15)11-12-21(26)27-20-6-4-5-19(14-20)25-22-23-16(2)13-17(3)24-22/h4-14H,1-3H3,(H,23,24,25)/b12-11+