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

Systemtic Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[3-(3-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=C1)OCCC(=O)N2CCN(CC2)C(=O)CCC(=O)O

Isomeric SMILES

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

InChI

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