(1S,2S)-2-[[(3S)-octan-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[[(3S)-octan-3-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[[(1S)-1-ethylhexyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[[(3S)-octan-3-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[[(3S)-octan-3-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[[(1S)-1-ethylhexyl]carbamoyl]cyclohexanecarboxylic acid Formula: C16H29NO3 MolecularWeight: 283.40636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=O)C1CCCCC1C(=O)O

Isomeric SMILES

CCCCC[C@H](CC)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O

InChI

InChI=1S/C16H29NO3/c1-3-5-6-9-12(4-2)17-15(18)13-10-7-8-11-14(13)16(19)20/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-,14-/m0/s1