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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2/c1-9(2)10(3)16-14-12-7-5-4-6-11(12)8-13(17-14)15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19)