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

Systemtic Name: 3-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]phenoxy]pyrrolidine-1-carboxylic acid Openeye Name: 3-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]phenoxy]pyrrolidine-1-carboxylic acid CAS Name: 3-[4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]phenoxy]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]phenoxy]pyrrolidine-1-carboxylic acid Traditional Name: 3-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]phenoxy]pyrrolidine-1-carboxylic acid Formula: C23H22FN5O5 MolecularWeight: 467.449683

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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)OC4CCN(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)OC4CCN(C4)C(=O)O

InChI

InChI=1S/C23H22FN5O5/c1-33-19-7-2-13(24)10-17(19)20(30)18-11-26-22(28-21(18)25)27-14-3-5-15(6-4-14)34-16-8-9-29(12-16)23(31)32/h2-7,10-11,16H,8-9,12H2,1H3,(H,31,32)(H3,25,26,27,28)