pentyl 2-[(1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]ethanoate

Systemtic Name: pentyl 2-[(1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: pentyl 2-[(1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(1-chloro-4-hydroxy-6-propan-2-yloxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(1-chloro-4-hydroxy-6-propan-2-yloxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carbonyl)amino]acetic acid amyl ester Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=O)C1=C(C2=C(C=CC(=C2)OC(C)C)C(=N1)Cl)O

Isomeric SMILES

CCCCCOC(=O)CNC(=O)C1=C(C2=C(C=CC(=C2)OC(C)C)C(=N1)Cl)O

InChI

InChI=1S/C20H25ClN2O5/c1-4-5-6-9-27-16(24)11-22-20(26)17-18(25)15-10-13(28-12(2)3)7-8-14(15)19(21)23-17/h7-8,10,12,25H,4-6,9,11H2,1-3H3,(H,22,26)