[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-phenylpropanoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-phenylpropanoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O2/c1-15-13-16(2)23-21(22-15)24-18-9-6-10-19(14-18)26-20(25)12-11-17-7-4-3-5-8-17/h3-10,13-14H,11-12H2,1-2H3,(H,22,23,24)