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

Systemtic Name: (4S)-2-(2,4-dimethoxyphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2,4-dimethoxyphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2,4-dimethoxyphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2,4-dimethoxyphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2,4-dimethoxyphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCO)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCO)OC

InChI

InChI=1S/C20H20N2O5/c1-26-13-7-8-17(18(11-13)27-2)22-19(24)15-6-4-3-5-14(15)16(20(22)25)12-21-9-10-23/h3-8,11-12,16,23H,9-10H2,1-2H3/t16-/m1/s1