3-methyl-5-[(5-methylfuran-2-yl)methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-methyl-5-[(5-methylfuran-2-yl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 3-methyl-5-[(5-methyl-2-furyl)methylamino]-5-oxo-pentanoic acid CAS Name: 3-methyl-5-[(5-methyl-2-furanyl)methylamino]-5-oxopentanoic acid IUPAC Name: 3-methyl-5-[(5-methylfuran-2-yl)methylamino]-5-oxopentanoic acid Traditional Name: 5-keto-3-methyl-5-[(5-methyl-2-furyl)methylamino]valeric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)CC(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)CC(C)CC(=O)O

InChI

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