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

Systemtic Name: 2-ethanoyl-4-oxidanylidene-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 2-acetyl-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-acetyl-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 2-acetyl-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 2-acetyl-4-keto-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-10(19)18-15(11-6-3-2-4-7-11)14-12(16(18)17(21)22)8-5-9-13(14)20/h2-4,6-7,12,14-16H,5,8-9H2,1H3,(H,21,22)