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

Systemtic Name: 5-fluoranyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-(propan-2-ylamino)benzoic acid Openeye Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-5-fluoro-2-(isopropylamino)benzoic acid CAS Name: 5-fluoro-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-2-(propan-2-ylamino)benzoic acid IUPAC Name: 5-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-(propan-2-ylamino)benzoic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)pyrrolidino]-5-fluoro-2-(isopropylamino)benzoic acid Formula: C19H28FN3O4 MolecularWeight: 381.441723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC(=C(C=C1C(=O)O)F)N2CCC(C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)NC1=CC(=C(C=C1C(=O)O)F)N2CCC(C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H28FN3O4/c1-11(2)21-15-9-16(14(20)8-13(15)17(24)25)23-7-6-12(10-23)22-18(26)27-19(3,4)5/h8-9,11-12,21H,6-7,10H2,1-5H3,(H,22,26)(H,24,25)