4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-1-keto-6,7-dimethoxy-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)OC)OC)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)OC)OC)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H29NO6/c1-7-8-9-28-18-13-10-15(26-5)16(27-6)11-14(13)19(23)22(12-21(2,3)4)17(18)20(24)25/h10-11H,7-9,12H2,1-6H3,(H,24,25)