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

Systemtic Name: ethyl 2-(cyclobutylamino)-5-fluoranyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(cyclobutylamino)-5-fluoro-benzoate CAS Name: 2-(cyclobutylamino)-5-fluoro-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-(cyclobutylamino)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclobutylamino)-5-fluoro-benzoic acid ethyl ester Formula: C22H32FN3O4 MolecularWeight: 421.505583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1NC2CCC2)N3CCC(C3)NC(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1NC2CCC2)N3CCC(C3)NC(=O)OC(C)(C)C)F

InChI

InChI=1S/C22H32FN3O4/c1-5-29-20(27)16-11-17(23)19(12-18(16)24-14-7-6-8-14)26-10-9-15(13-26)25-21(28)30-22(2,3)4/h11-12,14-15,24H,5-10,13H2,1-4H3,(H,25,28)