5-tridecyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-tridecyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-tridecyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-tridecyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-tridecyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-tridecyl-1H-pyrrole-3-carboxylic acid Formula: C18H31NO2 MolecularWeight: 293.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CN1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CN1)C(=O)O

InChI

InChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-16(15-19-17)18(20)21/h14-15,19H,2-13H2,1H3,(H,20,21)