2-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)ethanoic acid

Systemtic Name: 2-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)ethanoic acid Openeye Name: 2-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acetic acid CAS Name: 2-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)acetic acid IUPAC Name: 2-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)acetic acid Traditional Name: 2-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acetic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)CC(=O)O

InChI

InChI=1S/C14H21NO2/c1-10-8-12(9-14(16)17)11(2)15(10)13-6-4-3-5-7-13/h8,13H,3-7,9H2,1-2H3,(H,16,17)