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

Systemtic Name: 4-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazino]-4-keto-butyric acid Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O5/c1-13-12-14(19)2-3-15(13)26-11-6-17(23)21-9-7-20(8-10-21)16(22)4-5-18(24)25/h2-3,12H,4-11H2,1H3,(H,24,25)