1-[(2-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(2-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[(2-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[(2-methylcyclohexyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(2-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[(2-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1CCCCC1NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-11-6-2-5-9-14(11)18-16-13-8-4-3-7-12(13)10-15(19-16)17(20)21/h3-4,7-8,10-11,14H,2,5-6,9H2,1H3,(H,18,19)(H,20,21)