(3-phenoxyphenyl)methyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate

Systemtic Name: (3-phenoxyphenyl)methyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate Openeye Name: (3-phenoxyphenyl)methyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-propenoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]acrylic acid (3-phenoxybenzyl) ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C#N)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C=C(\C#N)/C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C23H20N4O3/c1-16-11-17(2)27-23(26-16)25-14-19(13-24)22(28)29-15-18-7-6-10-21(12-18)30-20-8-4-3-5-9-20/h3-12,14H,15H2,1-2H3,(H,25,26,27)/b19-14+