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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C

InChI

InChI=1S/C22H21N3O3/c1-3-27-19-9-4-17(5-10-19)6-13-22(26)28-20-11-7-18(8-12-20)25-21-14-16(2)23-15-24-21/h4-15H,3H2,1-2H3,(H,23,24,25)/b13-6+