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

Systemtic Name: ethyl 2-(cyclopropylamino)-3-fluoranyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(cyclopropylamino)-3-fluoro-benzoate CAS Name: 2-(cyclopropylamino)-3-fluoro-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-(cyclopropylamino)-3-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclopropylamino)-3-fluoro-benzoic acid ethyl ester Formula: C21H30FN3O4 MolecularWeight: 407.479003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1)N2CCC(C2)NC(=O)OC(C)(C)C)F)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1)N2CCC(C2)NC(=O)OC(C)(C)C)F)NC3CC3

InChI

InChI=1S/C21H30FN3O4/c1-5-28-19(26)15-8-9-16(17(22)18(15)23-13-6-7-13)25-11-10-14(12-25)24-20(27)29-21(2,3)4/h8-9,13-14,23H,5-7,10-12H2,1-4H3,(H,24,27)