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

Systemtic Name: (2R,4R)-2-(4-fluoranyl-2-methyl-phenyl)-4-(4-methylpiperazin-1-yl)piperidine-1-carboxylic acid Openeye Name: (2R,4R)-2-(4-fluoro-2-methyl-phenyl)-4-(4-methylpiperazin-1-yl)piperidine-1-carboxylic acid CAS Name: (2R,4R)-2-(4-fluoro-2-methylphenyl)-4-(4-methyl-1-piperazinyl)-1-piperidinecarboxylic acid IUPAC Name: (2R,4R)-2-(4-fluoro-2-methylphenyl)-4-(4-methylpiperazin-1-yl)piperidine-1-carboxylic acid Traditional Name: (2R,4R)-2-(4-fluoro-2-methyl-phenyl)-4-(4-methylpiperazino)piperidine-1-carboxylic acid Formula: C18H26FN3O2 MolecularWeight: 335.416343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26FN3O2/c1-13-11-14(19)3-4-16(13)17-12-15(5-6-22(17)18(23)24)21-9-7-20(2)8-10-21/h3-4,11,15,17H,5-10,12H2,1-2H3,(H,23,24)/t15-,17-/m1/s1