(2E)-2-[[1-(3-methoxypropyl)-3-methyl-indazol-6-yl]methylidene]-3-methyl-butanoic acid

Systemtic Name: (2E)-2-[[1-(3-methoxypropyl)-3-methyl-indazol-6-yl]methylidene]-3-methyl-butanoic acid Openeye Name: (2E)-2-[[1-(3-methoxypropyl)-3-methyl-indazol-6-yl]methylene]-3-methyl-butanoic acid CAS Name: (2E)-2-[[1-(3-methoxypropyl)-3-methyl-6-indazolyl]methylidene]-3-methylbutanoic acid IUPAC Name: (2E)-2-[[1-(3-methoxypropyl)-3-methylindazol-6-yl]methylidene]-3-methylbutanoic acid Traditional Name: (E)-2-isopropyl-3-[1-(3-methoxypropyl)-3-methyl-indazol-6-yl]acrylic acid Formula: C18H24N2O3 MolecularWeight: 316.39476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=CC(=C2)C=C(C(C)C)C(=O)O)CCCOC

Isomeric SMILES

CC1=NN(C2=C1C=CC(=C2)/C=C(\C(C)C)/C(=O)O)CCCOC

InChI

InChI=1S/C18H24N2O3/c1-12(2)16(18(21)22)10-14-6-7-15-13(3)19-20(17(15)11-14)8-5-9-23-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,21,22)/b16-10+