2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanoic acid CAS Name: 2-[[2-(4-chlorophenyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butyric acid Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2/c1-2-14(18(23)24)20-17-13-5-3-4-6-15(13)21-16(22-17)11-7-9-12(19)10-8-11/h3-10,14H,2H2,1H3,(H,23,24)(H,20,21,22)