4-[2-[3,3-bis(fluoranyl)piperidin-1-yl]butanoylamino]adamantane-1-carboxylic acid

Systemtic Name: 4-[2-[3,3-bis(fluoranyl)piperidin-1-yl]butanoylamino]adamantane-1-carboxylic acid Openeye Name: 4-[2-(3,3-difluoro-1-piperidyl)butanoylamino]adamantane-1-carboxylic acid CAS Name: 4-[[2-(3,3-difluoro-1-piperidinyl)-1-oxobutyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[2-(3,3-difluoropiperidin-1-yl)butanoylamino]adamantane-1-carboxylic acid Traditional Name: 4-[2-(3,3-difluoropiperidino)butanoylamino]adamantane-1-carboxylic acid Formula: C20H30F2N2O3 MolecularWeight: 384.460606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCCC(C4)(F)F

Isomeric SMILES

CCC(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCCC(C4)(F)F

InChI

InChI=1S/C20H30F2N2O3/c1-2-15(24-5-3-4-20(21,22)11-24)17(25)23-16-13-6-12-7-14(16)10-19(8-12,9-13)18(26)27/h12-16H,2-11H2,1H3,(H,23,25)(H,26,27)