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

Systemtic Name: tert-butyl 4-[[6-(3-morpholin-4-ylprop-1-ynyl)-4-oxidanylidene-quinazolin-3-yl]methyl]benzoate Openeye Name: tert-butyl 4-[[6-(3-morpholinoprop-1-ynyl)-4-oxo-quinazolin-3-yl]methyl]benzoate CAS Name: 4-[[6-[3-(4-morpholinyl)prop-1-ynyl]-4-oxo-3-quinazolinyl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(3-morpholin-4-ylprop-1-ynyl)-4-oxoquinazolin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-(3-morpholinoprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid tert-butyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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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#CCN4CCOCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCN4CCOCC4

InChI

InChI=1S/C27H29N3O4/c1-27(2,3)34-26(32)22-9-6-21(7-10-22)18-30-19-28-24-11-8-20(17-23(24)25(30)31)5-4-12-29-13-15-33-16-14-29/h6-11,17,19H,12-16,18H2,1-3H3