methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]propionic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19N3O5/c1-28-20(27)17(10-13-6-8-14(24)9-7-13)22-18(25)11-23-12-21-16-5-3-2-4-15(16)19(23)26/h2-9,12,17,24H,10-11H2,1H3,(H,22,25)/t17-/m0/s1