6-[diazanyl(phthalazin-1-yl)methyl]-2-[(E)-hex-2-enyl]-2-methyl-1,3-dioxane-4-carboxylic acid

Systemtic Name: 6-[diazanyl(phthalazin-1-yl)methyl]-2-[(E)-hex-2-enyl]-2-methyl-1,3-dioxane-4-carboxylic acid Openeye Name: 2-[(E)-hex-2-enyl]-6-[hydrazino(phthalazin-1-yl)methyl]-2-methyl-1,3-dioxane-4-carboxylic acid CAS Name: 2-[(E)-hex-2-enyl]-6-[hydrazinyl(1-phthalazinyl)methyl]-2-methyl-1,3-dioxane-4-carboxylic acid IUPAC Name: 2-[(E)-hex-2-enyl]-6-[hydrazinyl(phthalazin-1-yl)methyl]-2-methyl-1,3-dioxane-4-carboxylic acid Traditional Name: 2-[(E)-hex-2-enyl]-6-[hydrazino(phthalazin-1-yl)methyl]-2-methyl-1,3-dioxane-4-carboxylic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCC1(OC(CC(O1)C(=O)O)C(C2=NN=CC3=CC=CC=C32)NN)C

Isomeric SMILES

CCC/C=C/CC1(OC(CC(O1)C(=O)O)C(C2=NN=CC3=CC=CC=C32)NN)C

InChI

InChI=1S/C21H28N4O4/c1-3-4-5-8-11-21(2)28-16(12-17(29-21)20(26)27)19(24-22)18-15-10-7-6-9-14(15)13-23-25-18/h5-10,13,16-17,19,24H,3-4,11-12,22H2,1-2H3,(H,26,27)/b8-5+