1-(butylamino)isoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-2-3-8-15-13-11-7-5-4-6-10(11)9-12(16-13)14(17)18/h4-7,9H,2-3,8H2,1H3,(H,15,16)(H,17,18)