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

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

Click to see the large picture

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)/p-1