4-pentyl-5-phenyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-pentyl-5-phenyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-pentyl-5-phenyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-pentyl-5-phenyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-pentyl-5-phenyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-amyl-5-phenyl-1H-pyrrole-2-carboxylic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=C(NC(=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-2-3-5-10-13-11-14(16(18)19)17-15(13)12-8-6-4-7-9-12/h4,6-9,11,17H,2-3,5,10H2,1H3,(H,18,19)