3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(1-piperidyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-(1-piperidinyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-piperidinopyrimidin-4-yl)amino]propionic acid Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2N3CCCCC3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2N3CCCCC3

InChI

InChI=1S/C21H27N5O4/c1-25(2)21(29)30-16-8-6-15(7-9-16)12-17(20(27)28)24-19-18(13-22-14-23-19)26-10-4-3-5-11-26/h6-9,13-14,17H,3-5,10-12H2,1-2H3,(H,27,28)(H,22,23,24)