1-(4-fluoranyl-2-methyl-phenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-1-(4-fluoro-2-methyl-phenyl)piperazine-2-carboxylic acid CAS Name: 1-(4-fluoro-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-fluoro-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-1-(4-fluoro-2-methyl-phenyl)piperazine-2-carboxylic acid Formula: C17H23FN2O4 MolecularWeight: 338.373923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)N2CCN(CC2C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)N2CCN(CC2C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H23FN2O4/c1-11-9-12(18)5-6-13(11)20-8-7-19(10-14(20)15(21)22)16(23)24-17(2,3)4/h5-6,9,14H,7-8,10H2,1-4H3,(H,21,22)