1-[(3-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1CCCC(C1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-11-5-4-7-13(9-11)18-16-14-8-3-2-6-12(14)10-15(19-16)17(20)21/h2-3,6,8,10-11,13H,4-5,7,9H2,1H3,(H,18,19)(H,20,21)