3-methyl-5-oxidanylidene-5-(pyridin-2-ylmethylamino)pentanoic acid

Systemtic Name: 3-methyl-5-oxidanylidene-5-(pyridin-2-ylmethylamino)pentanoic acid Openeye Name: 3-methyl-5-oxo-5-(2-pyridylmethylamino)pentanoic acid CAS Name: 3-methyl-5-oxo-5-(2-pyridinylmethylamino)pentanoic acid IUPAC Name: 3-methyl-5-oxo-5-(pyridin-2-ylmethylamino)pentanoic acid Traditional Name: 5-keto-3-methyl-5-(2-pyridylmethylamino)valeric acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1=CC=CC=N1)CC(=O)O

Isomeric SMILES

CC(CC(=O)NCC1=CC=CC=N1)CC(=O)O

InChI

InChI=1S/C12H16N2O3/c1-9(7-12(16)17)6-11(15)14-8-10-4-2-3-5-13-10/h2-5,9H,6-8H2,1H3,(H,14,15)(H,16,17)