methyl 2-methoxy-5-[[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoate Traditional Name: 5-[[3-(3-keto-4H-quinoxalin-2-yl)propanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3NC2=O)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3NC2=O)C(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-28-18-9-7-13(11-14(18)21(27)29-2)12-22-19(25)10-8-17-20(26)24-16-6-4-3-5-15(16)23-17/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,25)(H,24,26)