2-azanyl-3-[3-[4-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[4-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[4-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[4-[2-(dimethylamino)-5-pyrimidinyl]phenoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[4-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[4-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]phenyl]propionic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=N1)C2=CC=C(C=C2)OC3=CC=CC(=C3)CC(C(=O)O)N

Isomeric SMILES

CN(C)C1=NC=C(C=N1)C2=CC=C(C=C2)OC3=CC=CC(=C3)CC(C(=O)O)N

InChI

InChI=1S/C21H22N4O3/c1-25(2)21-23-12-16(13-24-21)15-6-8-17(9-7-15)28-18-5-3-4-14(10-18)11-19(22)20(26)27/h3-10,12-13,19H,11,22H2,1-2H3,(H,26,27)