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

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

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCC(=O)O

InChI

InChI=1S/C22H25N3O2/c1-22(2,3)16-12-10-15(11-13-16)20-24-18-8-5-4-7-17(18)21(25-20)23-14-6-9-19(26)27/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H,26,27)(H,23,24,25)