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

Systemtic Name: 3-[4-[3-(2-bromanyl-4-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(2-bromo-4-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(2-bromo-4-methylphenoxy)propanoyl]piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazino]-3-keto-propionic acid Formula: C17H21BrN2O5 MolecularWeight: 413.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O5/c1-12-2-3-14(13(18)10-12)25-9-4-15(21)19-5-7-20(8-6-19)16(22)11-17(23)24/h2-3,10H,4-9,11H2,1H3,(H,23,24)