1-(3-methylcyclohexyl)oxyisoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-methylcyclohexyl)oxyisoquinoline-3-carboxylic acid Openeye Name: 1-(3-methylcyclohexoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(3-methylcyclohexyl)oxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-methylcyclohexyl)oxyisoquinoline-3-carboxylic acid Traditional Name: 1-(3-methylcyclohexoxy)isoquinoline-3-carboxylic acid Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1CCCC(C1)OC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H19NO3/c1-11-5-4-7-13(9-11)21-16-14-8-3-2-6-12(14)10-15(18-16)17(19)20/h2-3,6,8,10-11,13H,4-5,7,9H2,1H3,(H,19,20)