3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propanoate

Systemtic Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propanoate Openeye Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propanoate CAS Name: 3-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]propanoate IUPAC Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propanoate Traditional Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propionate Formula: C21H22N3O2- MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCC(=O)[O-]

InChI

InChI=1S/C21H23N3O2/c1-21(2,3)15-10-8-14(9-11-15)19-23-17-7-5-4-6-16(17)20(24-19)22-13-12-18(25)26/h4-11H,12-13H2,1-3H3,(H,25,26)(H,22,23,24)/p-1