[2-[[(E)-3-azanylbut-2-enoyl]oxymethyl]-2-ethyl-hexyl] (E)-3-azanylbut-2-enoate

Systemtic Name: [2-[[(E)-3-azanylbut-2-enoyl]oxymethyl]-2-ethyl-hexyl] (E)-3-azanylbut-2-enoate Openeye Name: [2-[[(E)-3-aminobut-2-enoyl]oxymethyl]-2-ethyl-hexyl] (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid [2-[[(E)-3-amino-1-oxobut-2-enoxy]methyl]-2-ethylhexyl] ester IUPAC Name: [2-[[(E)-3-aminobut-2-enoyl]oxymethyl]-2-ethylhexyl] (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid [2-[[(E)-3-aminobut-2-enoyl]oxymethyl]-2-ethyl-hexyl] ester Formula: C17H30N2O4 MolecularWeight: 326.4311

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(COC(=O)C=C(C)N)COC(=O)C=C(C)N

Isomeric SMILES

CCCCC(COC(=O)/C=C(/N)\C)(COC(=O)/C=C(/N)\C)CC

InChI

InChI=1S/C17H30N2O4/c1-5-7-8-17(6-2,11-22-15(20)9-13(3)18)12-23-16(21)10-14(4)19/h9-10H,5-8,11-12,18-19H2,1-4H3/b13-9+,14-10+