methyl (E)-7-[2-methyl-4-[(2-phthalazin-1-ylhydrazinyl)methyl]-1,3-dioxan-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-methyl-4-[(2-phthalazin-1-ylhydrazinyl)methyl]-1,3-dioxan-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[2-methyl-4-[(2-phthalazin-1-ylhydrazino)methyl]-1,3-dioxan-2-yl]hept-5-enoate CAS Name: (E)-7-[2-methyl-4-[(1-phthalazinylhydrazo)methyl]-1,3-dioxan-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-methyl-4-[(2-phthalazin-1-ylhydrazinyl)methyl]-1,3-dioxan-2-yl]hept-5-enoate Traditional Name: (E)-7-[2-methyl-4-[(N'-phthalazin-1-ylhydrazino)methyl]-1,3-dioxan-2-yl]hept-5-enoic acid methyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCC(O1)CNNC2=NN=CC3=CC=CC=C32)CC=CCCCC(=O)OC

Isomeric SMILES

CC1(OCCC(O1)CNNC2=NN=CC3=CC=CC=C32)C/C=C/CCCC(=O)OC

InChI

InChI=1S/C22H30N4O4/c1-22(13-8-4-3-5-11-20(27)28-2)29-14-12-18(30-22)16-24-26-21-19-10-7-6-9-17(19)15-23-25-21/h4,6-10,15,18,24H,3,5,11-14,16H2,1-2H3,(H,25,26)/b8-4+