(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[methyl-[2-(2-pyridinyl)ethyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]cyclohexanecarboxylate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-18(11-9-12-6-4-5-10-17-12)15(19)13-7-2-3-8-14(13)16(20)21/h4-6,10,13-14H,2-3,7-9,11H2,1H3,(H,20,21)/p-1/t13-,14+/m0/s1