methyl 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate CAS Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid methyl ester Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=CC=C4

InChI

InChI=1S/C26H20N2O3/c1-31-26(30)22-13-10-21(11-14-22)17-28-18-27-24-15-12-20(16-23(24)25(28)29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-16,18H,8,17H2,1H3