(1S,2R)-2-[4-(1-adamantyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[4-(1-adamantyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[4-(1-adamantyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[4-(1-adamantyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[4-(1-adamantyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[4-(1-adamantyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C22H34N2O3 MolecularWeight: 374.51696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C22H34N2O3/c25-20(18-3-1-2-4-19(18)21(26)27)23-5-7-24(8-6-23)22-12-15-9-16(13-22)11-17(10-15)14-22/h15-19H,1-14H2,(H,26,27)/t15?,16?,17?,18-,19+,22?/m1/s1