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

Systemtic Name: (4S)-4-(2,2-dimethoxyethyliminomethyl)-2-(2,4-dimethylphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(2,2-dimethoxyethyliminomethyl)-2-(2,4-dimethylphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-(2,2-dimethoxyethyliminomethyl)-2-(2,4-dimethylphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(2,2-dimethoxyethyliminomethyl)-2-(2,4-dimethylphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(2,2-dimethoxyethyliminomethyl)-2-(2,4-dimethylphenyl)-4H-isoquinoline-1,3-quinone Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC(OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-14-9-10-19(15(2)11-14)24-21(25)17-8-6-5-7-16(17)18(22(24)26)12-23-13-20(27-3)28-4/h5-12,18,20H,13H2,1-4H3/t18-/m1/s1