1-(propylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(propylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(propylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(propylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(propylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(propylamino)isoquinoline-3-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H14N2O2/c1-2-7-14-12-10-6-4-3-5-9(10)8-11(15-12)13(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)