2-[[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-phenyl-propionic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)NC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)NC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2/c1-15-19(13-17-9-5-3-6-10-17)21(24-16(2)23-15)25-20(22(26)27)14-18-11-7-4-8-12-18/h3-12,20H,13-14H2,1-2H3,(H,26,27)(H,23,24,25)