4-[[1-(2-chloranyl-4-fluoranyl-phenyl)cyclopentyl]carbonylamino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[1-(2-chloranyl-4-fluoranyl-phenyl)cyclopentyl]carbonylamino]adamantane-1-carboxylic acid Openeye Name: 4-[[1-(2-chloro-4-fluoro-phenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[[1-(2-chloro-4-fluorophenyl)cyclopentyl]-oxomethyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[1-(2-chloro-4-fluoro-phenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid Formula: C23H27ClFNO3 MolecularWeight: 419.916783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=C(C=C(C=C2)F)Cl)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

C1CCC(C1)(C2=C(C=C(C=C2)F)Cl)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C23H27ClFNO3/c24-18-9-16(25)3-4-17(18)23(5-1-2-6-23)20(27)26-19-14-7-13-8-15(19)12-22(10-13,11-14)21(28)29/h3-4,9,13-15,19H,1-2,5-8,10-12H2,(H,26,27)(H,28,29)