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

Systemtic Name: pentyl 2-[(1-chloranyl-6-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: pentyl 2-[(1-chloro-4-hydroxy-6-methoxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(1-chloro-4-hydroxy-6-methoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(1-chloro-4-hydroxy-6-methoxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(1-chloro-4-hydroxy-6-methoxy-isoquinoline-3-carbonyl)amino]acetic acid amyl ester Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O5/c1-3-4-5-8-26-14(22)10-20-18(24)15-16(23)13-9-11(25-2)6-7-12(13)17(19)21-15/h6-7,9,23H,3-5,8,10H2,1-2H3,(H,20,24)