2,5-dimethyl-1-(4-oxidanylcyclohexyl)pyrrole-3-carboxylate

Systemtic Name: 2,5-dimethyl-1-(4-oxidanylcyclohexyl)pyrrole-3-carboxylate Openeye Name: 1-(4-hydroxycyclohexyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-hydroxycyclohexyl)-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-(4-hydroxycyclohexyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-hydroxycyclohexyl)-2,5-dimethyl-pyrrole-3-carboxylate Formula: C13H18NO3- MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCC(CC2)O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CCC(CC2)O)C)C(=O)[O-]

InChI

InChI=1S/C13H19NO3/c1-8-7-12(13(16)17)9(2)14(8)10-3-5-11(15)6-4-10/h7,10-11,15H,3-6H2,1-2H3,(H,16,17)/p-1