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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

Isomeric SMILES

CC(C)N1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

InChI

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