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

Systemtic Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]butanedioic acid Openeye Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]butanedioic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]butanedioic acid IUPAC Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]butanedioic acid Traditional Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]succinic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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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(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-22(2,3)14-10-8-13(9-11-14)19-23-16-7-5-4-6-15(16)20(25-19)24-17(21(28)29)12-18(26)27/h4-11,17H,12H2,1-3H3,(H,26,27)(H,28,29)(H,23,24,25)