2-ethylhexyl 4-[[5-(acetyloxymethyl)furan-2-yl]methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[[5-(acetyloxymethyl)furan-2-yl]methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[[5-(acetoxymethyl)-2-furyl]methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[5-(acetyloxymethyl)-2-furanyl]methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[[5-(acetyloxymethyl)furan-2-yl]methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[[5-(acetoxymethyl)-2-furyl]methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C22H36N2O5 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=C(O2)COC(=O)C

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=C(O2)COC(=O)C

InChI

InChI=1S/C22H36N2O5/c1-4-6-8-19(5-2)16-28-22(26)24-12-7-11-23(13-14-24)15-20-9-10-21(29-20)17-27-18(3)25/h9-10,19H,4-8,11-17H2,1-3H3