3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-(1-phenylethyl)amino]propanoic acid

Systemtic Name: 3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-(1-phenylethyl)amino]propanoic acid Openeye Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-(1-phenylethyl)amino]propanoic acid CAS Name: 3-[(7-chloro-2-ethyl-4-quinazolinyl)-(1-phenylethyl)amino]propanoic acid IUPAC Name: 3-[(7-chloro-2-ethylquinazolin-4-yl)-(1-phenylethyl)amino]propanoic acid Traditional Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-(1-phenylethyl)amino]propionic acid Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC(=O)O)C(C)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC(=O)O)C(C)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-3-19-23-18-13-16(22)9-10-17(18)21(24-19)25(12-11-20(26)27)14(2)15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)