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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-propoxyphenyl)-2-propenoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-propoxyphenyl)acrylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C

InChI

InChI=1S/C23H23N3O3/c1-3-14-28-21-7-5-4-6-18(21)8-13-23(27)29-20-11-9-19(10-12-20)26-22-15-17(2)24-16-25-22/h4-13,15-16H,3,14H2,1-2H3,(H,24,25,26)/b13-8+