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

Systemtic Name: ethyl 5-fluoranyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-(propan-2-ylamino)benzoate Openeye Name: ethyl 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-5-fluoro-2-(isopropylamino)benzoate CAS Name: 5-fluoro-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-2-(propan-2-ylamino)benzoic acid ethyl ester IUPAC Name: ethyl 5-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-(propan-2-ylamino)benzoate Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-5-fluoro-2-(isopropylamino)benzoic acid ethyl ester Formula: C21H32FN3O4 MolecularWeight: 409.494883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1NC(C)C)N2CCC(C2)NC(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1NC(C)C)N2CCC(C2)NC(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H32FN3O4/c1-7-28-19(26)15-10-16(22)18(11-17(15)23-13(2)3)25-9-8-14(12-25)24-20(27)29-21(4,5)6/h10-11,13-14,23H,7-9,12H2,1-6H3,(H,24,27)