2-(cyclobutylamino)-5-fluoranyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid

Systemtic Name: 2-(cyclobutylamino)-5-fluoranyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(cyclobutylamino)-5-fluoro-benzoic acid CAS Name: 2-(cyclobutylamino)-5-fluoro-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-(cyclobutylamino)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclobutylamino)-5-fluoro-benzoic acid Formula: C20H28FN3O4 MolecularWeight: 393.452423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C(C(=C2)NC3CCC3)C(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C(C(=C2)NC3CCC3)C(=O)O)F

InChI

InChI=1S/C20H28FN3O4/c1-20(2,3)28-19(27)23-13-7-8-24(11-13)17-10-16(22-12-5-4-6-12)14(18(25)26)9-15(17)21/h9-10,12-13,22H,4-8,11H2,1-3H3,(H,23,27)(H,25,26)