3-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid

Systemtic Name: 3-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid Openeye Name: 3-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid CAS Name: 3-[4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]phenoxy]-1-piperidinecarboxylic acid IUPAC Name: 3-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid Traditional Name: 3-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid Formula: C24H24FN5O5 MolecularWeight: 481.476263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3=CC=C(C=C3)OC4CCCN(C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3=CC=C(C=C3)OC4CCCN(C4)C(=O)O

InChI

InChI=1S/C24H24FN5O5/c1-34-20-9-4-14(25)11-18(20)21(31)19-12-27-23(29-22(19)26)28-15-5-7-16(8-6-15)35-17-3-2-10-30(13-17)24(32)33/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,32,33)(H3,26,27,28,29)