methyl 5-[[4-[(6-ethoxy-6-oxidanylidene-hexyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(6-ethoxy-6-oxidanylidene-hexyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(6-ethoxy-6-oxo-hexyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(6-ethoxy-6-oxohexyl)amino]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(6-ethoxy-6-oxohexyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(6-ethoxy-6-keto-hexyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C21H33N3O6/c1-3-29-19(25)8-5-4-6-11-22-21(27)24-13-7-12-23(14-15-24)16-17-9-10-18(30-17)20(26)28-2/h9-10H,3-8,11-16H2,1-2H3,(H,22,27)