molecular hydrogen; 3-oxidanyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid; hydrochloride

Systemtic Name: molecular hydrogen; 3-oxidanyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid; hydrochloride Openeye Name: 3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid; molecular hydrogen; hydrochloride CAS Name: 3-hydroxy-2-[(2-phenyl-4-quinazolinyl)amino]propanoic acid; molecular hydrogen; hydrochloride IUPAC Name: 3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid; molecular hydrogen; hydrochloride Traditional Name: 3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propionic acid; molecular hydrogen; hydrochloride Formula: C17H18ClN3O3 MolecularWeight: 347.79612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[HH].C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC(CO)C(=O)O.Cl

Isomeric SMILES

[HH].C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC(CO)C(=O)O.Cl

InChI

InChI=1S/C17H15N3O3.ClH.H2/c21-10-14(17(22)23)19-16-12-8-4-5-9-13(12)18-15(20-16)11-6-2-1-3-7-11;;/h1-9,14,21H,10H2,(H,22,23)(H,18,19,20);2*1H