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

Systemtic Name: propan-2-yl 2-fluoranyl-5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate Openeye Name: isopropyl 2-fluoro-5-[[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]amino]benzoate CAS Name: 2-fluoro-5-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-fluoro-5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]benzoate Traditional Name: 2-fluoro-5-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]benzoic acid isopropyl ester Formula: C31H28FN3O4 MolecularWeight: 525.570123

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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(=C(C=C4)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(=C(C=C4)F)C(=O)OC(C)C

InChI

InChI=1S/C31H28FN3O4/c1-6-15-38-23-12-14-27-25(17-23)28(21-9-7-20(8-10-21)18(2)3)35-29(34-27)30(36)33-22-11-13-26(32)24(16-22)31(37)39-19(4)5/h1,7-14,16-19H,15H2,2-5H3,(H,33,36)