2-[4-[[(6-fluoranyl-3,3-dimethyl-2-oxidanylidene-indol-1-yl)carbonylamino]methyl]piperidin-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[(6-fluoranyl-3,3-dimethyl-2-oxidanylidene-indol-1-yl)carbonylamino]methyl]piperidin-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[4-[[(6-fluoro-3,3-dimethyl-2-oxo-indoline-1-carbonyl)amino]methyl]-1-piperidyl]-2-methyl-propanoic acid CAS Name: 2-[4-[[[(6-fluoro-3,3-dimethyl-2-oxo-1-indolyl)-oxomethyl]amino]methyl]-1-piperidinyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2-methylpropanoic acid Traditional Name: 2-[4-[[(6-fluoro-2-keto-3,3-dimethyl-indoline-1-carbonyl)amino]methyl]piperidino]-2-methyl-propionic acid Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)F)N(C1=O)C(=O)NCC3CCN(CC3)C(C)(C)C(=O)O)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)F)N(C1=O)C(=O)NCC3CCN(CC3)C(C)(C)C(=O)O)C

InChI

InChI=1S/C21H28FN3O4/c1-20(2)15-6-5-14(22)11-16(15)25(17(20)26)19(29)23-12-13-7-9-24(10-8-13)21(3,4)18(27)28/h5-6,11,13H,7-10,12H2,1-4H3,(H,23,29)(H,27,28)