(2S)-2-[[6-(3-fluoranyl-4-phenylmethoxy-phenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[6-(3-fluoranyl-4-phenylmethoxy-phenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[6-(4-benzyloxy-3-fluoro-phenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[6-(3-fluoro-4-phenylmethoxyphenyl)-4-pyrimidinyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[6-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[6-(4-benzoxy-3-fluoro-phenyl)pyrimidin-4-yl]amino]-3-phenyl-propionic acid Formula: C26H22FN3O3 MolecularWeight: 443.469583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC(=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=NC=NC(=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

InChI

InChI=1S/C26H22FN3O3/c27-21-14-20(11-12-24(21)33-16-19-9-5-2-6-10-19)22-15-25(29-17-28-22)30-23(26(31)32)13-18-7-3-1-4-8-18/h1-12,14-15,17,23H,13,16H2,(H,31,32)(H,28,29,30)/t23-/m0/s1