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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[2-(4-oxoquinazolin-3-yl)hexanoylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)hexyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[2-(4-oxoquinazolin-3-yl)hexanoylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[2-(4-ketoquinazolin-3-yl)hexanoylamino]propionic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-2-3-8-20(26-14-24-18-7-5-4-6-17(18)22(26)29)21(28)25-19(23(30)31)13-15-9-11-16(27)12-10-15/h4-7,9-12,14,19-20,27H,2-3,8,13H2,1H3,(H,25,28)(H,30,31)