2-[[2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(4-oxoquinazolin-3-yl)-3-phenyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-3-quinazolinyl)-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(4-oxoquinazolin-3-yl)-3-phenylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-3-phenyl-propanoyl]amino]glutaric acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c26-19(27)11-10-17(22(30)31)24-20(28)18(12-14-6-2-1-3-7-14)25-13-23-16-9-5-4-8-15(16)21(25)29/h1-9,13,17-18H,10-12H2,(H,24,28)(H,26,27)(H,30,31)