2-acetamido-3-[4-oxidanyl-3-(piperidin-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-oxidanyl-3-(piperidin-1-ylmethyl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-hydroxy-3-(1-piperidylmethyl)phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-hydroxy-3-(1-piperidinylmethyl)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-hydroxy-3-(piperidinomethyl)phenyl]propionic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)O)CN2CCCCC2)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)O)CN2CCCCC2)C(=O)O

InChI

InChI=1S/C17H24N2O4/c1-12(20)18-15(17(22)23)10-13-5-6-16(21)14(9-13)11-19-7-3-2-4-8-19/h5-6,9,15,21H,2-4,7-8,10-11H2,1H3,(H,18,20)(H,22,23)