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

Systemtic Name: tert-butyl 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O3/c1-29(2,3)34-28(33)24-15-12-23(13-16-24)19-31-20-30-26-17-14-22(18-25(26)27(31)32)11-7-10-21-8-5-4-6-9-21/h4-6,8-9,12-18,20H,10,19H2,1-3H3