4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C=C(C)CCC=C(C)C)C(=O)O

Isomeric SMILES

CC1=C(NC=C1/C=C(\C)/CCC=C(C)C)C(=O)O

InChI

InChI=1S/C15H21NO2/c1-10(2)6-5-7-11(3)8-13-9-16-14(12(13)4)15(17)18/h6,8-9,16H,5,7H2,1-4H3,(H,17,18)/b11-8+