7-methoxy-6-oxidanylidene-1-(3-propan-2-yloxyphenyl)carbonyl-2H-isoquinoline-4-carboxylic acid

Systemtic Name: 7-methoxy-6-oxidanylidene-1-(3-propan-2-yloxyphenyl)carbonyl-2H-isoquinoline-4-carboxylic acid Openeye Name: 1-(3-isopropoxybenzoyl)-7-methoxy-6-oxo-2H-isoquinoline-4-carboxylic acid CAS Name: 7-methoxy-6-oxo-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-2H-isoquinoline-4-carboxylic acid IUPAC Name: 7-methoxy-6-oxo-1-(3-propan-2-yloxybenzoyl)-2H-isoquinoline-4-carboxylic acid Traditional Name: 1-(3-isopropoxybenzoyl)-6-keto-7-methoxy-2H-isoquinoline-4-carboxylic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=C3C=C(C(=O)C=C3C(=CN2)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=C3C=C(C(=O)C=C3C(=CN2)C(=O)O)OC

InChI

InChI=1S/C21H19NO6/c1-11(2)28-13-6-4-5-12(7-13)20(24)19-15-9-18(27-3)17(23)8-14(15)16(10-22-19)21(25)26/h4-11,22H,1-3H3,(H,25,26)