3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-heptan-4-ylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-heptan-4-ylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(1-propylbutyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(5-heptan-4-yl-4-pyrimidinyl)amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-heptan-4-ylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(1-propylbutyl)pyrimidin-4-yl]amino]propionic acid Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CN=CN=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

Isomeric SMILES

CCCC(CCC)C1=CN=CN=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C23H32N4O4/c1-5-7-17(8-6-2)19-14-24-15-25-21(19)26-20(22(28)29)13-16-9-11-18(12-10-16)31-23(30)27(3)4/h9-12,14-15,17,20H,5-8,13H2,1-4H3,(H,28,29)(H,24,25,26)