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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN2O5/c1-6-29-19(26)15-7-8-16(18(28-5)17(15)23)25-12-9-14(13-25)22(10-11-22)24-20(27)30-21(2,3)4/h7-8,14H,6,9-13H2,1-5H3,(H,24,27)