4-[[6-(3-morpholin-4-ylprop-1-ynyl)-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(3-morpholin-4-ylprop-1-ynyl)-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(3-morpholinoprop-1-ynyl)-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-morpholinyl)prop-1-ynyl]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-(3-morpholin-4-ylprop-1-ynyl)-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(3-morpholinoprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H21N3O4/c27-22-20-14-17(2-1-9-25-10-12-30-13-11-25)5-8-21(20)24-16-26(22)15-18-3-6-19(7-4-18)23(28)29/h3-8,14,16H,9-13,15H2,(H,28,29)