3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[2-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[2-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[2-(4-ketoquinazolin-3-yl)propanoylamino]propionic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

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