2-ethoxy-3-[5-[3-[methyl(pentylcarbamoyl)amino]phenyl]pyrimidin-2-yl]propanoic acid

Systemtic Name: 2-ethoxy-3-[5-[3-[methyl(pentylcarbamoyl)amino]phenyl]pyrimidin-2-yl]propanoic acid Openeye Name: 2-ethoxy-3-[5-[3-[methyl(pentylcarbamoyl)amino]phenyl]pyrimidin-2-yl]propanoic acid CAS Name: 2-ethoxy-3-[5-[3-[methyl-[oxo-(pentylamino)methyl]amino]phenyl]-2-pyrimidinyl]propanoic acid IUPAC Name: 2-ethoxy-3-[5-[3-[methyl(pentylcarbamoyl)amino]phenyl]pyrimidin-2-yl]propanoic acid Traditional Name: 3-[5-[3-[amylcarbamoyl(methyl)amino]phenyl]pyrimidin-2-yl]-2-ethoxy-propionic acid Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CN=C(N=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CN=C(N=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C22H30N4O4/c1-4-6-7-11-23-22(29)26(3)18-10-8-9-16(12-18)17-14-24-20(25-15-17)13-19(21(27)28)30-5-2/h8-10,12,14-15,19H,4-7,11,13H2,1-3H3,(H,23,29)(H,27,28)