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

Systemtic Name: butyl 2-[(7-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: butyl 2-[(7-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(7-butoxy-1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid butyl ester IUPAC Name: butyl 2-[(7-butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(7-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid butyl ester Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCC(=O)OCCCC)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCC(=O)OCCCC)O

InChI

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