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

Systemtic Name: 2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2,2-dimethylpropyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=CC2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(C)(C)CN1C(=CC2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C15H17NO3/c1-15(2,3)9-16-12(14(18)19)8-10-6-4-5-7-11(10)13(16)17/h4-8H,9H2,1-3H3,(H,18,19)