2-[4-azanyl-1-(3,4-dimethoxyphenyl)butyl]-4-oxidanyl-isoindole-1,3-dione

Systemtic Name: 2-[4-azanyl-1-(3,4-dimethoxyphenyl)butyl]-4-oxidanyl-isoindole-1,3-dione Openeye Name: 2-[4-amino-1-(3,4-dimethoxyphenyl)butyl]-4-hydroxy-isoindoline-1,3-dione CAS Name: 2-[4-amino-1-(3,4-dimethoxyphenyl)butyl]-4-hydroxyisoindole-1,3-dione IUPAC Name: 2-[4-amino-1-(3,4-dimethoxyphenyl)butyl]-4-hydroxyisoindole-1,3-dione Traditional Name: 2-[4-amino-1-(3,4-dimethoxyphenyl)butyl]-4-hydroxy-isoindoline-1,3-quinone Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCN)N2C(=O)C3=C(C2=O)C(=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCN)N2C(=O)C3=C(C2=O)C(=CC=C3)O)OC

InChI

InChI=1S/C20H22N2O5/c1-26-16-9-8-12(11-17(16)27-2)14(6-4-10-21)22-19(24)13-5-3-7-15(23)18(13)20(22)25/h3,5,7-9,11,14,23H,4,6,10,21H2,1-2H3