1-[butyl(methyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[butyl(methyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[butyl(methyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[butyl(methyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[butyl(methyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[butyl(methyl)amino]isoquinoline-3-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCN(C)C1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-3-4-9-17(2)14-12-8-6-5-7-11(12)10-13(16-14)15(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)