methyl 2-[(1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoate

Systemtic Name: methyl 2-[(1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: methyl 2-[(7-benzyloxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(1-chloro-4-hydroxy-7-phenylmethoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(7-benzoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5/c1-27-16(24)10-22-20(26)17-18(25)14-8-7-13(9-15(14)19(21)23-17)28-11-12-5-3-2-4-6-12/h2-9,25H,10-11H2,1H3,(H,22,26)