4-dodecyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-dodecyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-dodecyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-dodecyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-dodecyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-lauryl-1H-pyrrole-2-carboxylic acid Formula: C17H29NO2 MolecularWeight: 279.41766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CNC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CNC(=C1)C(=O)O

InChI

InChI=1S/C17H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(17(19)20)18-14-15/h13-14,18H,2-12H2,1H3,(H,19,20)