4-(3-fluorophenyl)-4-[[(2-methoxy-6-oxidanyl-phenyl)carbonylamino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-(3-fluorophenyl)-4-[[(2-methoxy-6-oxidanyl-phenyl)carbonylamino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-(3-fluorophenyl)-4-[[(2-hydroxy-6-methoxy-benzoyl)amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-(3-fluorophenyl)-4-[[[(2-hydroxy-6-methoxyphenyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-(3-fluorophenyl)-4-[[(2-hydroxy-6-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-(3-fluorophenyl)-4-[[(2-hydroxy-6-methoxy-benzoyl)amino]methyl]piperidine-1-carboxylic acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)NCC2(CCN(CC2)C(=O)O)C3=CC(=CC=C3)F)O

Isomeric SMILES

COC1=CC=CC(=C1C(=O)NCC2(CCN(CC2)C(=O)O)C3=CC(=CC=C3)F)O

InChI

InChI=1S/C21H23FN2O5/c1-29-17-7-3-6-16(25)18(17)19(26)23-13-21(14-4-2-5-15(22)12-14)8-10-24(11-9-21)20(27)28/h2-7,12,25H,8-11,13H2,1H3,(H,23,26)(H,27,28)