4-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[3-(2-methylphenoxy)propanoyl]piperazino]butyric acid Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)C(=O)CCC(=O)O

InChI

InChI=1S/C18H24N2O5/c1-14-4-2-3-5-15(14)25-13-8-17(22)20-11-9-19(10-12-20)16(21)6-7-18(23)24/h2-5H,6-13H2,1H3,(H,23,24)