methyl 5-[[4-(3,7-dimethyl-7-oxidanyl-octyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3,7-dimethyl-7-oxidanyl-octyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(7-hydroxy-3,7-dimethyl-octyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(7-hydroxy-3,7-dimethyloctyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(7-hydroxy-3,7-dimethyloctyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(7-hydroxy-3,7-dimethyl-octyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H38N2O4 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)CCN1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CC(CCCC(C)(C)O)CCN1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C22H38N2O4/c1-18(7-5-11-22(2,3)26)10-14-23-12-6-13-24(16-15-23)17-19-8-9-20(28-19)21(25)27-4/h8-9,18,26H,5-7,10-17H2,1-4H3