3-[(3aR,7aS)-7a-methyl-1,3-bis(oxidanylidene)-4,7-dihydro-3aH-isoindol-2-yl]propanoic acid

Systemtic Name: 3-[(3aR,7aS)-7a-methyl-1,3-bis(oxidanylidene)-4,7-dihydro-3aH-isoindol-2-yl]propanoic acid Openeye Name: 3-[(3aR,7aS)-7a-methyl-1,3-dioxo-4,7-dihydro-3aH-isoindol-2-yl]propanoic acid CAS Name: 3-[(3aR,7aS)-7a-methyl-1,3-dioxo-4,7-dihydro-3aH-isoindol-2-yl]propanoic acid IUPAC Name: 3-[(3aR,7aS)-7a-methyl-1,3-dioxo-4,7-dihydro-3aH-isoindol-2-yl]propanoic acid Traditional Name: 3-[(3aR,7aS)-1,3-diketo-7a-methyl-4,7-dihydro-3aH-isoindol-2-yl]propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=CCC1C(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

C[C@]12CC=CC[C@H]1C(=O)N(C2=O)CCC(=O)O

InChI

InChI=1S/C12H15NO4/c1-12-6-3-2-4-8(12)10(16)13(11(12)17)7-5-9(14)15/h2-3,8H,4-7H2,1H3,(H,14,15)/t8-,12-/m0/s1