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

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-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-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-15-13-16(2)24-22(23-15)25-18-5-4-6-20(14-18)28-21(26)12-9-17-7-10-19(27-3)11-8-17/h4-14H,1-3H3,(H,23,24,25)/b12-9+