4-(2,6-dimethylhept-5-enyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2,6-dimethylhept-5-enyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2,6-dimethylhept-5-enyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2,6-dimethylhept-5-enyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2,6-dimethylhept-5-enyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2,6-dimethylhept-5-enyl)-1H-pyrrole-2-carboxylic acid Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CC1=CNC(=C1)C(=O)O

Isomeric SMILES

CC(CCC=C(C)C)CC1=CNC(=C1)C(=O)O

InChI

InChI=1S/C14H21NO2/c1-10(2)5-4-6-11(3)7-12-8-13(14(16)17)15-9-12/h5,8-9,11,15H,4,6-7H2,1-3H3,(H,16,17)