methyl 2-cyano-2-[3-[(4-methoxy-3-oxidanyl-phenyl)methylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[(4-methoxy-3-oxidanyl-phenyl)methylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[(3-hydroxy-4-methoxy-phenyl)methylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(3-hydroxy-4-methoxy-benzyl)amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC)O

InChI

InChI=1S/C20H18N4O4/c1-27-17-8-7-12(9-16(17)25)11-22-19-18(13(10-21)20(26)28-2)23-14-5-3-4-6-15(14)24-19/h3-9,13,25H,11H2,1-2H3,(H,22,24)