3-oxidanylidene-3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-oxo-3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-oxo-3-[4-[1-(4-phenoxyphenyl)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-oxo-3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-keto-3-[4-[1-(4-phenoxyphenyl)ethyl]piperazino]propionic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C(=O)CC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C(=O)CC(=O)O

InChI

InChI=1S/C21H24N2O4/c1-16(22-11-13-23(14-12-22)20(24)15-21(25)26)17-7-9-19(10-8-17)27-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,25,26)