4-[[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2,4-diketo-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(CC2)CC#CC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C2=C(CN(CC2)CC#CC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H23N3O4/c1-26-22-13-15-27(14-5-8-18-6-3-2-4-7-18)17-21(22)23(29)28(25(26)32)16-19-9-11-20(12-10-19)24(30)31/h2-4,6-7,9-12H,13-17H2,1H3,(H,30,31)