(N,N'-dicyclohexylcarbamimidoyl) 2-[1,3-benzodioxol-5-ylmethyl(methanoyl)amino]ethanoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 2-[1,3-benzodioxol-5-ylmethyl(methanoyl)amino]ethanoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 2-[1,3-benzodioxol-5-ylmethyl(formyl)amino]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(formyl)amino]acetic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 2-[1,3-benzodioxol-5-ylmethyl(formyl)amino]acetate Traditional Name: 2-[formyl(piperonyl)amino]acetic acid (N,N'-dicyclohexylamidino) ester Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CN(CC3=CC4=C(C=C3)OCO4)C=O

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CN(CC3=CC4=C(C=C3)OCO4)C=O

InChI

InChI=1S/C24H33N3O5/c28-16-27(14-18-11-12-21-22(13-18)31-17-30-21)15-23(29)32-24(25-19-7-3-1-4-8-19)26-20-9-5-2-6-10-20/h11-13,16,19-20H,1-10,14-15,17H2,(H,25,26)