2-(3,4-dimethoxyphenyl)-4-(3-ethoxypropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethoxypropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethoxypropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethoxypropyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethoxypropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethoxypropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C23H26N2O5 MolecularWeight: 410.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N2O5/c1-4-30-13-7-12-24-15-19-17-8-5-6-9-18(17)22(26)25(23(19)27)16-10-11-20(28-2)21(14-16)29-3/h5-6,8-11,14-15,19H,4,7,12-13H2,1-3H3