2-(methoxyamino)-2-(methylcarbamoyl)-3-(2-oxidanylideneethyl)-1-(phenylmethyl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(methoxyamino)-2-(methylcarbamoyl)-3-(2-oxidanylideneethyl)-1-(phenylmethyl)cyclohexane-1-carboxylic acid Openeye Name: 1-benzyl-2-(methoxyamino)-2-(methylcarbamoyl)-3-(2-oxoethyl)cyclohexanecarboxylic acid CAS Name: 2-(methoxyamino)-2-(methylcarbamoyl)-3-(2-oxoethyl)-1-(phenylmethyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-benzyl-2-(methoxyamino)-2-(methylcarbamoyl)-3-(2-oxoethyl)cyclohexane-1-carboxylic acid Traditional Name: 1-benzyl-3-(2-ketoethyl)-2-(methoxyamino)-2-(methylcarbamoyl)cyclohexanecarboxylic acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(C(CCCC1(CC2=CC=CC=C2)C(=O)O)CC=O)NOC

Isomeric SMILES

CNC(=O)C1(C(CCCC1(CC2=CC=CC=C2)C(=O)O)CC=O)NOC

InChI

InChI=1S/C19H26N2O5/c1-20-16(23)19(21-26-2)15(10-12-22)9-6-11-18(19,17(24)25)13-14-7-4-3-5-8-14/h3-5,7-8,12,15,21H,6,9-11,13H2,1-2H3,(H,20,23)(H,24,25)