1-(pentylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(pentylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(pentylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(pentylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(pentylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(amylamino)isoquinoline-3-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-2-3-6-9-16-14-12-8-5-4-7-11(12)10-13(17-14)15(18)19/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17)(H,18,19)