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

Systemtic Name: 3-[5-(4-bromophenyl)-1-butyl-pyrrol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1-butyl-pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1-butyl-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1-butylpyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1-butyl-pyrrol-2-yl]propionate Formula: C17H19BrNO2- MolecularWeight: 349.24226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)[O-]

Isomeric SMILES

CCCCN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)[O-]

InChI

InChI=1S/C17H20BrNO2/c1-2-3-12-19-15(9-11-17(20)21)8-10-16(19)13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,20,21)/p-1