(2S)-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]hexanoic acid

Systemtic Name: (2S)-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]hexanoic acid Openeye Name: (2S)-2-[[6-(4-benzyloxyphenyl)pyrimidin-4-yl]amino]hexanoic acid CAS Name: (2S)-2-[[6-(4-phenylmethoxyphenyl)-4-pyrimidinyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]hexanoic acid Traditional Name: (2S)-2-[[6-(4-benzoxyphenyl)pyrimidin-4-yl]amino]hexanoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=NC=NC(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC1=NC=NC(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-2-3-9-20(23(27)28)26-22-14-21(24-16-25-22)18-10-12-19(13-11-18)29-15-17-7-5-4-6-8-17/h4-8,10-14,16,20H,2-3,9,15H2,1H3,(H,27,28)(H,24,25,26)/t20-/m0/s1