ethyl 2-(cyclopropylamino)-5-fluoranyl-3-methoxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 2-(cyclopropylamino)-5-fluoranyl-3-methoxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(cyclopropylamino)-5-fluoro-3-methoxy-benzoate CAS Name: 2-(cyclopropylamino)-5-fluoro-3-methoxy-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-(cyclopropylamino)-5-fluoro-3-methoxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclopropylamino)-5-fluoro-3-methoxy-benzoic acid ethyl ester Formula: C22H32FN3O5 MolecularWeight: 437.504983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1NC2CC2)OC)N3CCC(C3)NC(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1NC2CC2)OC)N3CCC(C3)NC(=O)OC(C)(C)C)F

InChI

InChI=1S/C22H32FN3O5/c1-6-30-20(27)15-11-16(23)18(19(29-5)17(15)24-13-7-8-13)26-10-9-14(12-26)25-21(28)31-22(2,3)4/h11,13-14,24H,6-10,12H2,1-5H3,(H,25,28)