4-[[4-methyl-3-oxidanylidene-7-(3-phenylprop-1-ynyl)-1,4-benzoxazin-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-methyl-3-oxidanylidene-7-(3-phenylprop-1-ynyl)-1,4-benzoxazin-2-yl]methyl]benzoic acid Openeye Name: 4-[[4-methyl-3-oxo-7-(3-phenylprop-1-ynyl)-1,4-benzoxazin-2-yl]methyl]benzoic acid CAS Name: 4-[[4-methyl-3-oxo-7-(3-phenylprop-1-ynyl)-1,4-benzoxazin-2-yl]methyl]benzoic acid IUPAC Name: 4-[[4-methyl-3-oxo-7-(3-phenylprop-1-ynyl)-1,4-benzoxazin-2-yl]methyl]benzoic acid Traditional Name: 4-[[3-keto-4-methyl-7-(3-phenylprop-1-ynyl)-1,4-benzoxazin-2-yl]methyl]benzoic acid Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO4/c1-27-22-15-12-19(9-5-8-18-6-3-2-4-7-18)16-23(22)31-24(25(27)28)17-20-10-13-21(14-11-20)26(29)30/h2-4,6-7,10-16,24H,8,17H2,1H3,(H,29,30)