(2R,4S)-4-(4-ethanoylpiperazin-1-yl)-2-(4-fluoranyl-2-methyl-phenyl)piperidine-1-carboxylic acid

Systemtic Name: (2R,4S)-4-(4-ethanoylpiperazin-1-yl)-2-(4-fluoranyl-2-methyl-phenyl)piperidine-1-carboxylic acid Openeye Name: (2R,4S)-4-(4-acetylpiperazin-1-yl)-2-(4-fluoro-2-methyl-phenyl)piperidine-1-carboxylic acid CAS Name: (2R,4S)-4-(4-acetyl-1-piperazinyl)-2-(4-fluoro-2-methylphenyl)-1-piperidinecarboxylic acid IUPAC Name: (2R,4S)-4-(4-acetylpiperazin-1-yl)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid Traditional Name: (2R,4S)-4-(4-acetylpiperazino)-2-(4-fluoro-2-methyl-phenyl)piperidine-1-carboxylic acid Formula: C19H26FN3O3 MolecularWeight: 363.426443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C19H26FN3O3/c1-13-11-15(20)3-4-17(13)18-12-16(5-6-23(18)19(25)26)22-9-7-21(8-10-22)14(2)24/h3-4,11,16,18H,5-10,12H2,1-2H3,(H,25,26)/t16-,18+/m0/s1