[4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-15-12-21(24-14-23-15)25-17-5-7-18(8-6-17)29-22(26)11-4-16-13-19(27-2)9-10-20(16)28-3/h4-14H,1-3H3,(H,23,24,25)/b11-4+