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

Systemtic Name: 2-(cyclopropylamino)-5-fluoranyl-3-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(cyclopropylamino)-5-fluoro-3-methyl-benzoic acid CAS Name: 2-(cyclopropylamino)-5-fluoro-3-methyl-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-(cyclopropylamino)-5-fluoro-3-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-2-(cyclopropylamino)-5-fluoro-3-methyl-benzoic acid Formula: C20H28FN3O4 MolecularWeight: 393.452423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1N2CCC(C2)NC(=O)OC(C)(C)C)F)C(=O)O)NC3CC3

Isomeric SMILES

CC1=C(C(=CC(=C1N2CCC(C2)NC(=O)OC(C)(C)C)F)C(=O)O)NC3CC3

InChI

InChI=1S/C20H28FN3O4/c1-11-16(22-12-5-6-12)14(18(25)26)9-15(21)17(11)24-8-7-13(10-24)23-19(27)28-20(2,3)4/h9,12-13,22H,5-8,10H2,1-4H3,(H,23,27)(H,25,26)