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

Systemtic Name: 3-[5-[3-[methyl(pentylcarbamoyl)amino]phenyl]pyrimidin-2-yl]propanoic acid Openeye Name: 3-[5-[3-[methyl(pentylcarbamoyl)amino]phenyl]pyrimidin-2-yl]propanoic acid CAS Name: 3-[5-[3-[methyl-[oxo-(pentylamino)methyl]amino]phenyl]-2-pyrimidinyl]propanoic acid IUPAC Name: 3-[5-[3-[methyl(pentylcarbamoyl)amino]phenyl]pyrimidin-2-yl]propanoic acid Traditional Name: 3-[5-[3-[amylcarbamoyl(methyl)amino]phenyl]pyrimidin-2-yl]propionic acid Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-3-4-5-11-21-20(27)24(2)17-8-6-7-15(12-17)16-13-22-18(23-14-16)9-10-19(25)26/h6-8,12-14H,3-5,9-11H2,1-2H3,(H,21,27)(H,25,26)