2-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C19H21NO4/c1-3-24-17-9-8-13(12(2)21)10-14(17)11-20-18(22)15-6-4-5-7-16(15)19(20)23/h4-5,8-10,15-16H,3,6-7,11H2,1-2H3