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

Systemtic Name: 2-(cyclopropylamino)-3-ethoxy-5-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-ethoxy-5-fluoro-benzoic acid CAS Name: 2-(cyclopropylamino)-3-ethoxy-5-fluoro-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-(cyclopropylamino)-3-ethoxy-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclopropylamino)-3-ethoxy-5-fluoro-benzoic acid Formula: C21H30FN3O5 MolecularWeight: 423.478403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1N2CCC(C2)NC(=O)OC(C)(C)C)F)C(=O)O)NC3CC3

Isomeric SMILES

CCOC1=C(C(=CC(=C1N2CCC(C2)NC(=O)OC(C)(C)C)F)C(=O)O)NC3CC3

InChI

InChI=1S/C21H30FN3O5/c1-5-29-18-16(23-12-6-7-12)14(19(26)27)10-15(22)17(18)25-9-8-13(11-25)24-20(28)30-21(2,3)4/h10,12-13,23H,5-9,11H2,1-4H3,(H,24,28)(H,26,27)