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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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