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

Systemtic Name: 2-[4-[3-(2-bromanyl-4-methyl-phenoxy)propanoyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[3-(2-bromo-4-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[3-(2-bromo-4-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Formula: C22H23BrN2O5 MolecularWeight: 475.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C22H23BrN2O5/c1-15-6-7-19(18(23)14-15)30-13-8-20(26)24-9-11-25(12-10-24)21(27)16-4-2-3-5-17(16)22(28)29/h2-7,14H,8-13H2,1H3,(H,28,29)