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4-ethanoyl-3-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxylic acid

4-ethanoyl-3-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxylic acid

Systemtic Name:4-ethanoyl-3-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxylic acid
Openeye Name:4-acetyl-3-(2-pyridylmethyl)piperazine-1,3-dicarboxylic acid
CAS Name:4-acetyl-3-(2-pyridinylmethyl)piperazine-1,3-dicarboxylic acid
IUPAC Name:4-acetyl-3-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxylic acid
Traditional Name:4-acetyl-3-(2-pyridylmethyl)piperazine-1,3-dicarboxylic acid
Formula: C14H17N3O5
MolecularWeight: 307.30188
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1(CC2=CC=CC=N2)C(=O)O)C(=O)O


Isomeric SMILES

CC(=O)N1CCN(CC1(CC2=CC=CC=N2)C(=O)O)C(=O)O


InChI

InChI=1S/C14H17N3O5/c1-10(18)17-7-6-16(13(21)22)9-14(17,12(19)20)8-11-4-2-3-5-15-11/h2-5H,6-9H2,1H3,(H,19,20)(H,21,22)


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