2-(3,3-dimethylbutanoyl)-4-oxidanylidene-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid

Systemtic Name: 2-(3,3-dimethylbutanoyl)-4-oxidanylidene-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 2-(3,3-dimethylbutanoyl)-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-(3,3-dimethyl-1-oxobutyl)-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 2-(3,3-dimethylbutanoyl)-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 2-(3,3-dimethylbutanoyl)-4-keto-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(C2C(C1C(=O)O)CCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)N1C(C2C(C1C(=O)O)CCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27NO4/c1-21(2,3)12-16(24)22-18(13-8-5-4-6-9-13)17-14(19(22)20(25)26)10-7-11-15(17)23/h4-6,8-9,14,17-19H,7,10-12H2,1-3H3,(H,25,26)