(4S)-2-(3,5-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(3,5-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(3,5-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3,5-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(3,5-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(3,5-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCO)C

InChI

InChI=1S/C20H20N2O3/c1-13-9-14(2)11-15(10-13)22-19(24)17-6-4-3-5-16(17)18(20(22)25)12-21-7-8-23/h3-6,9-12,18,23H,7-8H2,1-2H3/t18-/m1/s1