methyl 4-[[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate Openeye Name: methyl 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate CAS Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoate Traditional Name: 4-[[2,4-diketo-1-methyl-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid methyl ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H22N2O4/c1-28-24-16-13-20(10-6-9-19-7-4-3-5-8-19)17-23(24)25(30)29(27(28)32)18-21-11-14-22(15-12-21)26(31)33-2/h3-5,7-8,11-17H,9,18H2,1-2H3