3-[6,6-dimethyl-3-oxidanylidene-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrrolizin-1-yl]propanoic acid

Systemtic Name: 3-[6,6-dimethyl-3-oxidanylidene-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrrolizin-1-yl]propanoic acid Openeye Name: 3-[6,6-dimethyl-3-oxo-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrrolizin-1-yl]propanoic acid CAS Name: 3-[6,6-dimethyl-3-oxo-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrrolizin-1-yl]propanoic acid IUPAC Name: 3-[6,6-dimethyl-3-oxo-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrrolizin-1-yl]propanoic acid Traditional Name: 3-(3-keto-2-mesityl-6,6-dimethyl-7,8-dihydro-5H-pyrrolizin-1-yl)propionic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C(C3CC(CN3C2=O)(C)C)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C(C3CC(CN3C2=O)(C)C)CCC(=O)O)C

InChI

InChI=1S/C21H27NO3/c1-12-8-13(2)18(14(3)9-12)19-15(6-7-17(23)24)16-10-21(4,5)11-22(16)20(19)25/h8-9,16H,6-7,10-11H2,1-5H3,(H,23,24)