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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-propoxyphenyl)-2-propenoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-propoxyphenyl)acrylic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H27N3O3/c1-3-19-34-25-14-9-22(10-15-25)11-18-29(33)35-26-16-12-24(13-17-26)32-28-20-27(30-21(2)31-28)23-7-5-4-6-8-23/h4-18,20H,3,19H2,1-2H3,(H,30,31,32)/b18-11+