3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid hydrate

Systemtic Name: 3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid hydrate Openeye Name: 3-[4-(2-benzyloxyethyl)piperazin-1-yl]propanoic acid hydrate CAS Name: 3-[4-(2-phenylmethoxyethyl)-1-piperazinyl]propanoic acid hydrate IUPAC Name: 3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid hydrate Traditional Name: 3-[4-(2-benzoxyethyl)piperazino]propionic acid hydrate Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CCOCC2=CC=CC=C2.O

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CCOCC2=CC=CC=C2.O

InChI

InChI=1S/C16H24N2O3.H2O/c19-16(20)6-7-17-8-10-18(11-9-17)12-13-21-14-15-4-2-1-3-5-15;/h1-5H,6-14H2,(H,19,20);1H2