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

Systemtic Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]pentanedioic acid Openeye Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]pentanedioic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]pentanedioic acid Traditional Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]glutaric acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-23(2,3)15-10-8-14(9-11-15)20-24-17-7-5-4-6-16(17)21(26-20)25-18(22(29)30)12-13-19(27)28/h4-11,18H,12-13H2,1-3H3,(H,27,28)(H,29,30)(H,24,25,26)