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

Systemtic Name: 5-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazino]-2-hydroxy-benzoic acid Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H23BrN2O5/c1-14-12-15(22)2-5-19(14)29-11-6-20(26)24-9-7-23(8-10-24)16-3-4-18(25)17(13-16)21(27)28/h2-5,12-13,25H,6-11H2,1H3,(H,27,28)