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

Systemtic Name: 5-ethyl-2-fluoranyl-3-methoxy-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-[1-(tert-butoxycarbonylamino)cyclopropyl]pyrrolidin-1-yl]-5-ethyl-2-fluoro-3-methoxy-benzoic acid CAS Name: 5-ethyl-2-fluoro-3-methoxy-4-[3-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopropyl]-1-pyrrolidinyl]benzoic acid IUPAC Name: 5-ethyl-2-fluoro-3-methoxy-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-[1-(tert-butoxycarbonylamino)cyclopropyl]pyrrolidino]-5-ethyl-2-fluoro-3-methoxy-benzoic acid Formula: C22H31FN2O5 MolecularWeight: 422.490343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C(=O)O)F)OC)N2CCC(C2)C3(CC3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C(=O)O)F)OC)N2CCC(C2)C3(CC3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H31FN2O5/c1-6-13-11-15(19(26)27)16(23)18(29-5)17(13)25-10-7-14(12-25)22(8-9-22)24-20(28)30-21(2,3)4/h11,14H,6-10,12H2,1-5H3,(H,24,28)(H,26,27)