7a-phenethyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione

Systemtic Name: 7a-phenethyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione Openeye Name: 7a-phenethyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione CAS Name: 7a-phenethyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione IUPAC Name: 7a-phenethyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione Traditional Name: 7a-phenethyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-quinone Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)C(=O)NC2=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC2(C(C1)C(=O)NC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C16H19NO2/c18-14-13-8-4-5-10-16(13,15(19)17-14)11-9-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18,19)