(1S,2S)-2-(4-phenylpiperazin-1-yl)carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-(4-phenylpiperazin-1-yl)carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxylic acid Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H24N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23)/t15-,16-/m0/s1