4-methyl-2-[(6-oxidanylidenepyran-3-yl)methylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[(6-oxidanylidenepyran-3-yl)methylamino]pentanoic acid Openeye Name: 4-methyl-2-[(6-oxopyran-3-yl)methylamino]pentanoic acid CAS Name: 4-methyl-2-[(6-oxo-3-pyranyl)methylamino]pentanoic acid IUPAC Name: 4-methyl-2-[(6-oxopyran-3-yl)methylamino]pentanoic acid Traditional Name: 2-[(6-ketopyran-3-yl)methylamino]-4-methyl-valeric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCC1=COC(=O)C=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NCC1=COC(=O)C=C1

InChI

InChI=1S/C12H17NO4/c1-8(2)5-10(12(15)16)13-6-9-3-4-11(14)17-7-9/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,15,16)