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

Systemtic Name: ethyl 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoate hydrochloride Openeye Name: ethyl 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoate hydrochloride CAS Name: 3-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoate hydrochloride Traditional Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoic acid ethyl ester hydrochloride Formula: C27H28ClN3O2 MolecularWeight: 461.98312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C.Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C.Cl

InChI

InChI=1S/C27H27N3O2.ClH/c1-5-32-26(31)19-9-8-10-21(17-19)28-25-22-11-6-7-12-23(22)29-24(30-25)18-13-15-20(16-14-18)27(2,3)4;/h6-17H,5H2,1-4H3,(H,28,29,30);1H