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

Systemtic Name: 1-[cyclohexyl(methyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[cyclohexyl(methyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[cyclohexyl(methyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[cyclohexyl(methyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[cyclohexyl(methyl)amino]isoquinoline-3-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN(C1CCCCC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-19(13-8-3-2-4-9-13)16-14-10-6-5-7-12(14)11-15(18-16)17(20)21/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,20,21)