4-[(E)-tridec-1-enyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(E)-tridec-1-enyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-tridec-1-enyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-tridec-1-enyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-tridec-1-enyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-tridec-1-enyl]-1H-pyrrole-2-carboxylic acid Formula: C18H29NO2 MolecularWeight: 291.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC1=CNC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCC/C=C/C1=CNC(=C1)C(=O)O

InChI

InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-17(18(20)21)19-15-16/h12-15,19H,2-11H2,1H3,(H,20,21)/b13-12+