1-[(1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[(1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[(1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carbonyl)amino]cyclopropanecarboxylic acid CAS Name: 1-[[(1-chloro-4-hydroxy-6-propan-2-yloxy-3-isoquinolinyl)-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[(1-chloro-4-hydroxy-6-propan-2-yloxyisoquinoline-3-carbonyl)amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[(1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carbonyl)amino]cyclopropanecarboxylic acid Formula: C17H17ClN2O5 MolecularWeight: 364.78028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NC3(CC3)C(=O)O)Cl

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NC3(CC3)C(=O)O)Cl

InChI

InChI=1S/C17H17ClN2O5/c1-8(2)25-9-3-4-10-11(7-9)13(21)12(19-14(10)18)15(22)20-17(5-6-17)16(23)24/h3-4,7-8,21H,5-6H2,1-2H3,(H,20,22)(H,23,24)