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

Systemtic Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]butanoic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]butyric acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-5-17(21(26)27)23-20-16-8-6-7-9-18(16)24-19(25-20)14-10-12-15(13-11-14)22(2,3)4/h6-13,17H,5H2,1-4H3,(H,26,27)(H,23,24,25)