ethyl 2-[(1-chloranyl-4-oxidanyl-6-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoate

Systemtic Name: ethyl 2-[(1-chloranyl-4-oxidanyl-6-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: ethyl 2-[(6-benzyloxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(1-chloro-4-hydroxy-6-phenylmethoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-chloro-4-hydroxy-6-phenylmethoxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(6-benzoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid ethyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=C(C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=N1)Cl)O

Isomeric SMILES

CCOC(=O)CNC(=O)C1=C(C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=N1)Cl)O

InChI

InChI=1S/C21H19ClN2O5/c1-2-28-17(25)11-23-21(27)18-19(26)16-10-14(8-9-15(16)20(22)24-18)29-12-13-6-4-3-5-7-13/h3-10,26H,2,11-12H2,1H3,(H,23,27)