1-(tert-butylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(tert-butylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(tert-butylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(tert-butylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(tert-butylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(tert-butylamino)isoquinoline-3-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(C)NC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-14(2,3)16-12-10-7-5-4-6-9(10)8-11(15-12)13(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)