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

Systemtic Name: 3-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-[3-(2-methylphenoxy)propanoyl]piperazino]propionic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-13-4-2-3-5-14(13)24-11-6-15(20)18-7-9-19(10-8-18)16(21)12-17(22)23/h2-5H,6-12H2,1H3,(H,22,23)