[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate CAS Name: (E)-3-(4-tert-butylphenyl)-2-propenoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-tert-butylphenyl)acrylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C29H27N3O2 MolecularWeight: 449.54358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O2/c1-29(2,3)23-15-12-21(13-16-23)14-17-28(33)34-25-11-7-10-24(18-25)32-27-19-26(30-20-31-27)22-8-5-4-6-9-22/h4-20H,1-3H3,(H,30,31,32)/b17-14+