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

Systemtic Name: 3-[5-(4-bromophenyl)-1-propyl-pyrrol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1-propyl-pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1-propyl-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1-propylpyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1-propyl-pyrrol-2-yl]propionate Formula: C16H17BrNO2- MolecularWeight: 335.21568

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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)/p-1