2-(2,6-diethylphenyl)-4-methoxy-4-oxidanyl-isoquinoline-1,3-dione

Systemtic Name: 2-(2,6-diethylphenyl)-4-methoxy-4-oxidanyl-isoquinoline-1,3-dione Openeye Name: 2-(2,6-diethylphenyl)-4-hydroxy-4-methoxy-isoquinoline-1,3-dione CAS Name: 2-(2,6-diethylphenyl)-4-hydroxy-4-methoxyisoquinoline-1,3-dione IUPAC Name: 2-(2,6-diethylphenyl)-4-hydroxy-4-methoxyisoquinoline-1,3-dione Traditional Name: 2-(2,6-diethylphenyl)-4-hydroxy-4-methoxy-isoquinoline-1,3-quinone Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=CC=CC=C3C(C2=O)(O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=CC=CC=C3C(C2=O)(O)OC

InChI

InChI=1S/C20H21NO4/c1-4-13-9-8-10-14(5-2)17(13)21-18(22)15-11-6-7-12-16(15)20(24,25-3)19(21)23/h6-12,24H,4-5H2,1-3H3