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

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

Systemtic Name:(4S)-2-(3,4-dimethylphenyl)-4-(2-methoxyethyliminomethyl)-4H-isoquinoline-1,3-dione
Openeye Name:(4S)-2-(3,4-dimethylphenyl)-4-(2-methoxyethyliminomethyl)-4H-isoquinoline-1,3-dione
CAS Name:(4S)-2-(3,4-dimethylphenyl)-4-(2-methoxyethyliminomethyl)-4H-isoquinoline-1,3-dione
IUPAC Name:(4S)-2-(3,4-dimethylphenyl)-4-(2-methoxyethyliminomethyl)-4H-isoquinoline-1,3-dione
Traditional Name:(4S)-2-(3,4-dimethylphenyl)-4-(2-methoxyethyliminomethyl)-4H-isoquinoline-1,3-quinone
Formula: C21H22N2O3
MolecularWeight: 350.41098
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H22N2O3/c1-14-8-9-16(12-15(14)2)23-20(24)18-7-5-4-6-17(18)19(21(23)25)13-22-10-11-26-3/h4-9,12-13,19H,10-11H2,1-3H3/t19-/m1/s1


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