5-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazino]-5-keto-valeric acid Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O5/c1-14-13-15(20)5-6-16(14)27-12-7-18(24)22-10-8-21(9-11-22)17(23)3-2-4-19(25)26/h5-6,13H,2-4,7-12H2,1H3,(H,25,26)