5-(5-bromanyl-2-methyl-phenyl)-1-propyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-(5-bromanyl-2-methyl-phenyl)-1-propyl-pyrrole-2-carboxylic acid Openeye Name: 5-(5-bromo-2-methyl-phenyl)-1-propyl-pyrrole-2-carboxylic acid CAS Name: 5-(5-bromo-2-methylphenyl)-1-propyl-2-pyrrolecarboxylic acid IUPAC Name: 5-(5-bromo-2-methylphenyl)-1-propylpyrrole-2-carboxylic acid Traditional Name: 5-(5-bromo-2-methyl-phenyl)-1-propyl-pyrrole-2-carboxylic acid Formula: C15H16BrNO2 MolecularWeight: 322.19704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC=C1C(=O)O)C2=C(C=CC(=C2)Br)C

Isomeric SMILES

CCCN1C(=CC=C1C(=O)O)C2=C(C=CC(=C2)Br)C

InChI

InChI=1S/C15H16BrNO2/c1-3-8-17-13(6-7-14(17)15(18)19)12-9-11(16)5-4-10(12)2/h4-7,9H,3,8H2,1-2H3,(H,18,19)