1-(cyclohexylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(cyclohexylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(cyclohexylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(cyclohexylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(cyclohexylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(cyclohexylamino)isoquinoline-3-carboxylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18N2O2/c19-16(20)14-10-11-6-4-5-9-13(11)15(18-14)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H,17,18)(H,19,20)