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

Systemtic Name: pentyl 2-[(1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C24H25ClN2O5 MolecularWeight: 456.9187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O5/c1-2-3-7-12-31-20(28)14-26-24(30)21-22(29)18-11-10-17(13-19(18)23(25)27-21)32-15-16-8-5-4-6-9-16/h4-6,8-11,13,29H,2-3,7,12,14-15H2,1H3,(H,26,30)