2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)propanoic acid; piperazine

Systemtic Name: 2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)propanoic acid; piperazine Openeye Name: 2-(4-oxo-2-phenyl-quinazolin-3-yl)propanoic acid; piperazine CAS Name: 2-(4-oxo-2-phenyl-3-quinazolinyl)propanoic acid; piperazine IUPAC Name: 2-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid; piperazine Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)propionic acid; piperazine Formula: C38H38N6O6 MolecularWeight: 674.74492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.C1CNCCN1

Isomeric SMILES

CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.C1CNCCN1

InChI

InChI=1S/2C17H14N2O3.C4H10N2/c2*1-11(17(21)22)19-15(12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16(19)20;1-2-6-4-3-5-1/h2*2-11H,1H3,(H,21,22);5-6H,1-4H2