2-[[3,5-dimethyl-2-phenoxy-6-(phenylmethyl)pyridin-4-yl]-methyl-amino]-2-methyl-3-(methylamino)propanoic acid

Systemtic Name: 2-[[3,5-dimethyl-2-phenoxy-6-(phenylmethyl)pyridin-4-yl]-methyl-amino]-2-methyl-3-(methylamino)propanoic acid Openeye Name: 2-[(2-benzyl-3,5-dimethyl-6-phenoxy-4-pyridyl)-methyl-amino]-2-methyl-3-(methylamino)propanoic acid CAS Name: 2-[[3,5-dimethyl-2-phenoxy-6-(phenylmethyl)-4-pyridinyl]-methylamino]-2-methyl-3-(methylamino)propanoic acid IUPAC Name: 2-[(2-benzyl-3,5-dimethyl-6-phenoxypyridin-4-yl)-methylamino]-2-methyl-3-(methylamino)propanoic acid Traditional Name: 2-[(2-benzyl-3,5-dimethyl-6-phenoxy-4-pyridyl)-methyl-amino]-2-methyl-3-(methylamino)propionic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1CC2=CC=CC=C2)OC3=CC=CC=C3)C)N(C)C(C)(CNC)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N=C1CC2=CC=CC=C2)OC3=CC=CC=C3)C)N(C)C(C)(CNC)C(=O)O

InChI

InChI=1S/C26H31N3O3/c1-18-22(16-20-12-8-6-9-13-20)28-24(32-21-14-10-7-11-15-21)19(2)23(18)29(5)26(3,17-27-4)25(30)31/h6-15,27H,16-17H2,1-5H3,(H,30,31)