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

Systemtic Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]butanedioic acid; hydrochloride Openeye Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]butanedioic acid; hydrochloride CAS Name: molecular hydrogen; 2-[(2-phenyl-4-quinazolinyl)amino]butanedioic acid; hydrochloride IUPAC Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]butanedioic acid; hydrochloride Traditional Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]succinic acid; hydrochloride Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4.ClH.H2/c22-15(23)10-14(18(24)25)20-17-12-8-4-5-9-13(12)19-16(21-17)11-6-2-1-3-7-11;;/h1-9,14H,10H2,(H,22,23)(H,24,25)(H,19,20,21);2*1H