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

Systemtic Name: 4-[[1-methyl-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[1-methyl-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(CC2=C1CCN(C2)CC#CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CN(CC2=C1CCN(C2)CC#CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H27N3O2/c1-26-19-28(16-21-9-11-22(12-10-21)25(29)30)18-23-17-27(15-13-24(23)26)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,13-19H2,1H3,(H,29,30)