3-[4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(2-furylmethylamino)-2-oxo-ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-(2-furanylmethylamino)-2-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(2-furfurylamino)-2-keto-ethyl]piperazino]propionic acid Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC(=O)NCC2=CC=CO2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC(=O)NCC2=CC=CO2

InChI

InChI=1S/C14H21N3O4/c18-13(15-10-12-2-1-9-21-12)11-17-7-5-16(6-8-17)4-3-14(19)20/h1-2,9H,3-8,10-11H2,(H,15,18)(H,19,20)