2-ethoxy-3-[4-[2-[methyl(pentylcarbamoyl)amino]pyrimidin-4-yl]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[methyl(pentylcarbamoyl)amino]pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[methyl(pentylcarbamoyl)amino]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[methyl-[oxo-(pentylamino)methyl]amino]-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[methyl(pentylcarbamoyl)amino]pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[amylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]-2-ethoxy-propionic acid Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N(C)C1=NC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCNC(=O)N(C)C1=NC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

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