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

Systemtic Name: molecular hydrogen; 3-[(2-phenylquinazolin-4-yl)amino]propanoic acid; hydrochloride Openeye Name: molecular hydrogen; 3-[(2-phenylquinazolin-4-yl)amino]propanoic acid; hydrochloride CAS Name: molecular hydrogen; 3-[(2-phenyl-4-quinazolinyl)amino]propanoic acid; hydrochloride IUPAC Name: molecular hydrogen; 3-[(2-phenylquinazolin-4-yl)amino]propanoic acid; hydrochloride Traditional Name: molecular hydrogen; 3-[(2-phenylquinazolin-4-yl)amino]propionic acid; hydrochloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2.ClH.H2/c21-15(22)10-11-18-17-13-8-4-5-9-14(13)19-16(20-17)12-6-2-1-3-7-12;;/h1-9H,10-11H2,(H,21,22)(H,18,19,20);2*1H