1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrrole-3-carboxylate Formula: C15H22NO2- MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=CC(=C2C)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=CC(=C2C)C(=O)[O-])C

InChI

InChI=1S/C15H23NO2/c1-9-6-5-7-14(11(9)3)16-10(2)8-13(12(16)4)15(17)18/h8-9,11,14H,5-7H2,1-4H3,(H,17,18)/p-1/t9-,11+,14-/m0/s1