3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbonyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-oxomethyl]-2,2,3-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbonyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid Formula: C21H28BrNO4 MolecularWeight: 438.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C(=O)O)C

InChI

InChI=1S/C21H28BrNO4/c1-19(2)16(17(24)25)8-9-20(19,3)18(26)23-12-10-21(27,11-13-23)14-4-6-15(22)7-5-14/h4-7,16,27H,8-13H2,1-3H3,(H,24,25)