2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 1-keto-4-(2-methoxyethoxy)-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C2=CC=CC=C2C1=O)OCCOC)C(=O)O

Isomeric SMILES

CC(C)(C)CN1C(=C(C2=CC=CC=C2C1=O)OCCOC)C(=O)O

InChI

InChI=1S/C18H23NO5/c1-18(2,3)11-19-14(17(21)22)15(24-10-9-23-4)12-7-5-6-8-13(12)16(19)20/h5-8H,9-11H2,1-4H3,(H,21,22)