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

Systemtic Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propanoic acid Openeye Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propanoic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]propanoic acid IUPAC Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propanoic acid Traditional Name: 2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propionic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-13(20(25)26)22-19-16-7-5-6-8-17(16)23-18(24-19)14-9-11-15(12-10-14)21(2,3)4/h5-13H,1-4H3,(H,25,26)(H,22,23,24)