4-[(8-oxidanyl-1-oxidanylidene-2H-isoquinolin-3-yl)methylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(8-oxidanyl-1-oxidanylidene-2H-isoquinolin-3-yl)methylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[(8-hydroxy-1-oxo-2H-isoquinolin-3-yl)methylamino]cyclohexanecarboxylic acid CAS Name: 4-[(8-hydroxy-1-oxo-2H-isoquinolin-3-yl)methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(8-hydroxy-1-oxo-2H-isoquinolin-3-yl)methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[(8-hydroxy-1-keto-2H-isoquinolin-3-yl)methylamino]cyclohexanecarboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NCC2=CC3=C(C(=CC=C3)O)C(=O)N2

Isomeric SMILES

C1CC(CCC1C(=O)O)NCC2=CC3=C(C(=CC=C3)O)C(=O)N2

InChI

InChI=1S/C17H20N2O4/c20-14-3-1-2-11-8-13(19-16(21)15(11)14)9-18-12-6-4-10(5-7-12)17(22)23/h1-3,8,10,12,18,20H,4-7,9H2,(H,19,21)(H,22,23)