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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-isobutyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(2-methylpropyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-isobutyl-pyrrol-2-yl]propionic acid Formula: C17H20BrNO2 MolecularWeight: 350.2502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

Isomeric SMILES

CC(C)CN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

InChI

InChI=1S/C17H20BrNO2/c1-12(2)11-19-15(8-10-17(20)21)7-9-16(19)13-3-5-14(18)6-4-13/h3-7,9,12H,8,10-11H2,1-2H3,(H,20,21)