dimethyl 5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C31H27N3O6 MolecularWeight: 537.56258

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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(=O)OC)C(=O)OC

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(=O)OC)C(=O)OC

InChI

InChI=1S/C31H27N3O6/c1-6-13-40-24-11-12-26-25(17-24)27(20-9-7-19(8-10-20)18(2)3)34-28(33-26)29(35)32-23-15-21(30(36)38-4)14-22(16-23)31(37)39-5/h1,7-12,14-18H,13H2,2-5H3,(H,32,35)