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

Systemtic Name: (4S)-2-(2,3-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2,3-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2,3-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2,3-dimethylphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2,3-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=C(C(=CC=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCO)C

Isomeric SMILES

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

InChI

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