3-(4-hydroxyphenyl)-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propionic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H27N3O5/c29-19-11-7-16(8-12-19)13-22(25(32)33)27-23(30)18-9-5-17(6-10-18)14-28-15-26-21-4-2-1-3-20(21)24(28)31/h1-4,7-8,11-12,15,17-18,22,29H,5-6,9-10,13-14H2,(H,27,30)(H,32,33)