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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCC1=CNC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/CC1=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/h11-12,14-15,19H,2-10,13H2,1H3,(H,20,21)/b12-11+