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

Systemtic Name: 4-[[4-oxidanylidene-6-(3-piperidin-1-ylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-[3-(1-piperidyl)prop-1-ynyl]quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[3-(1-piperidinyl)prop-1-ynyl]-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(3-piperidin-1-ylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(3-piperidinoprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H23N3O3/c28-23-21-15-18(5-4-14-26-12-2-1-3-13-26)8-11-22(21)25-17-27(23)16-19-6-9-20(10-7-19)24(29)30/h6-11,15,17H,1-3,12-14,16H2,(H,29,30)