2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(5-methyl-2-furyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-methyl-2-furanyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(5-methyl-2-furyl)methyl]piperazino]acetic acid Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=CC=C(O1)CN2CCN(CC2)CC(=O)O

InChI

InChI=1S/C12H18N2O3/c1-10-2-3-11(17-10)8-13-4-6-14(7-5-13)9-12(15)16/h2-3H,4-9H2,1H3,(H,15,16)