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

Systemtic Name: methyl 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoate Openeye Name: methyl 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C26H25N3O2/c1-26(2,3)19-14-12-17(13-15-19)23-28-22-11-6-5-10-21(22)24(29-23)27-20-9-7-8-18(16-20)25(30)31-4/h5-16H,1-4H3,(H,27,28,29)