1-(2-methylpropylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-methylpropylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(isobutylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-methylpropylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methylpropylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(isobutylamino)isoquinoline-3-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-9(2)8-15-13-11-6-4-3-5-10(11)7-12(16-13)14(17)18/h3-7,9H,8H2,1-2H3,(H,15,16)(H,17,18)