propan-2-yl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]-5-(trifluoromethyl)benzoate

Systemtic Name: propan-2-yl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]-5-(trifluoromethyl)benzoate Openeye Name: isopropyl 3-[[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]amino]-5-(trifluoromethyl)benzoate CAS Name: 3-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]-5-(trifluoromethyl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]-5-(trifluoromethyl)benzoate Traditional Name: 3-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]-5-(trifluoromethyl)benzoic acid isopropyl ester Formula: C32H28F3N3O4 MolecularWeight: 575.57763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(=O)OC(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(=O)OC(C)C

InChI

InChI=1S/C32H28F3N3O4/c1-6-13-41-25-11-12-27-26(17-25)28(21-9-7-20(8-10-21)18(2)3)38-29(37-27)30(39)36-24-15-22(31(40)42-19(4)5)14-23(16-24)32(33,34)35/h1,7-12,14-19H,13H2,2-5H3,(H,36,39)