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

Systemtic Name: ethyl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]benzoate Traditional Name: 3-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]benzoic acid ethyl ester Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=NC3=C(C=C(C=C3)OCC#C)C(=N2)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=NC3=C(C=C(C=C3)OCC#C)C(=N2)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C30H27N3O4/c1-5-16-37-24-14-15-26-25(18-24)27(21-12-10-20(11-13-21)19(3)4)33-28(32-26)29(34)31-23-9-7-8-22(17-23)30(35)36-6-2/h1,7-15,17-19H,6,16H2,2-4H3,(H,31,34)