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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-13-7-8-14(2)18(11-13)22-19(24)16-6-4-3-5-15(16)17(20(22)25)12-21-9-10-23/h3-8,11-12,17,23H,9-10H2,1-2H3/t17-/m1/s1