methyl 3-(4-hydroxyphenyl)-2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCC2=NC3=CC=CC=C3NC2=O

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCC2=NC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H21N3O5/c1-29-21(28)18(12-13-6-8-14(25)9-7-13)23-19(26)11-10-17-20(27)24-16-5-3-2-4-15(16)22-17/h2-9,18,25H,10-12H2,1H3,(H,23,26)(H,24,27)