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

Systemtic Name: 2-ethylhexyl 4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[(5-methoxycarbonyl-2-furyl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(5-methoxycarbonyl-2-furanyl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(5-carbomethoxy-2-furyl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O5/c1-4-6-8-17(5-2)16-27-21(25)23-12-7-11-22(13-14-23)15-18-9-10-19(28-18)20(24)26-3/h9-10,17H,4-8,11-16H2,1-3H3