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

Systemtic Name: (2R,4R)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-2-(4-fluoranyl-2-methyl-phenyl)piperidine-1-carboxylic acid Openeye Name: (2R,4R)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluoro-2-methyl-phenyl)piperidine-1-carboxylic acid CAS Name: (2R,4R)-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-(4-fluoro-2-methylphenyl)-1-piperidinecarboxylic acid IUPAC Name: (2R,4R)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid Traditional Name: (2R,4R)-4-[4-(cyclopropanecarbonyl)piperazino]-2-(4-fluoro-2-methyl-phenyl)piperidine-1-carboxylic acid Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@H]2C[C@@H](CCN2C(=O)O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H28FN3O3/c1-14-12-16(22)4-5-18(14)19-13-17(6-7-25(19)21(27)28)23-8-10-24(11-9-23)20(26)15-2-3-15/h4-5,12,15,17,19H,2-3,6-11,13H2,1H3,(H,27,28)/t17-,19-/m1/s1