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

Systemtic Name: 2-(cyclopropylamino)-3-fluoranyl-5-methoxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(cyclopropylamino)-3-fluoro-5-methoxy-benzoic acid CAS Name: 2-(cyclopropylamino)-3-fluoro-5-methoxy-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-(cyclopropylamino)-3-fluoro-5-methoxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclopropylamino)-3-fluoro-5-methoxy-benzoic acid Formula: C20H28FN3O5 MolecularWeight: 409.451823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C(C(=C2F)NC3CC3)C(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C(C(=C2F)NC3CC3)C(=O)O)OC

InChI

InChI=1S/C20H28FN3O5/c1-20(2,3)29-19(27)23-12-7-8-24(10-12)17-14(28-4)9-13(18(25)26)16(15(17)21)22-11-5-6-11/h9,11-12,22H,5-8,10H2,1-4H3,(H,23,27)(H,25,26)