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

Systemtic Name: 2-(cyclopropylamino)-3-fluoranyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(cyclopropylamino)-3-fluoro-benzoic acid CAS Name: 2-(cyclopropylamino)-3-fluoro-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-(cyclopropylamino)-3-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclopropylamino)-3-fluoro-benzoic acid Formula: C19H26FN3O4 MolecularWeight: 379.425843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C(=C(C=C2)C(=O)O)NC3CC3)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C(=C(C=C2)C(=O)O)NC3CC3)F

InChI

InChI=1S/C19H26FN3O4/c1-19(2,3)27-18(26)22-12-8-9-23(10-12)14-7-6-13(17(24)25)16(15(14)20)21-11-4-5-11/h6-7,11-12,21H,4-5,8-10H2,1-3H3,(H,22,26)(H,24,25)