3-[5-(4-bromophenyl)-1-propyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-bromophenyl)-1-propyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-propyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-propyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-propylpyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-propyl-pyrrol-2-yl]propionic acid Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

Isomeric SMILES

CCCN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

InChI

InChI=1S/C16H18BrNO2/c1-2-11-18-14(8-10-16(19)20)7-9-15(18)12-3-5-13(17)6-4-12/h3-7,9H,2,8,10-11H2,1H3,(H,19,20)