3-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazino]propionic acid Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C17H23BrN2O4/c1-13-12-14(18)2-3-15(13)24-11-5-16(21)20-9-7-19(8-10-20)6-4-17(22)23/h2-3,12H,4-11H2,1H3,(H,22,23)