1-(2-methylbutan-2-ylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-methylbutan-2-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(1,1-dimethylpropylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-methylbutan-2-ylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methylbutan-2-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(tert-amylamino)isoquinoline-3-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2/c1-4-15(2,3)17-13-11-8-6-5-7-10(11)9-12(16-13)14(18)19/h5-9H,4H2,1-3H3,(H,16,17)(H,18,19)