2-(2-oxidanyl-3-phenylmethoxy-propyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(2-oxidanyl-3-phenylmethoxy-propyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(3-benzoxy-2-hydroxy-propyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CC(COCC3=CC=CC=C3)O

InChI

InChI=1S/C18H21NO4/c20-14(12-23-11-13-6-2-1-3-7-13)10-19-17(21)15-8-4-5-9-16(15)18(19)22/h1-7,14-16,20H,8-12H2