4-(1-chloranyl-6-methoxy-isoquinolin-7-yl)oxypyrrolidine-1,2-dicarboxylic acid

Systemtic Name: 4-(1-chloranyl-6-methoxy-isoquinolin-7-yl)oxypyrrolidine-1,2-dicarboxylic acid Openeye Name: 4-[(1-chloro-6-methoxy-7-isoquinolyl)oxy]pyrrolidine-1,2-dicarboxylic acid CAS Name: 4-[(1-chloro-6-methoxy-7-isoquinolinyl)oxy]pyrrolidine-1,2-dicarboxylic acid IUPAC Name: 4-(1-chloro-6-methoxyisoquinolin-7-yl)oxypyrrolidine-1,2-dicarboxylic acid Traditional Name: 4-[(1-chloro-6-methoxy-7-isoquinolyl)oxy]pyrrolidine-1,2-dicarboxylic acid Formula: C16H15ClN2O6 MolecularWeight: 366.7531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2Cl)OC3CC(N(C3)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2Cl)OC3CC(N(C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15ClN2O6/c1-24-12-4-8-2-3-18-14(17)10(8)6-13(12)25-9-5-11(15(20)21)19(7-9)16(22)23/h2-4,6,9,11H,5,7H2,1H3,(H,20,21)(H,22,23)