methyl 5-[[4-(4-phenylmethoxybutanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-phenylmethoxybutanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-benzyloxybutanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(1-oxo-4-phenylmethoxybutyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-phenylmethoxybutanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-benzoxybutanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CCCOCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CCCOCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O5/c1-28-23(27)21-11-10-20(30-21)17-24-12-6-13-25(15-14-24)22(26)9-5-16-29-18-19-7-3-2-4-8-19/h2-4,7-8,10-11H,5-6,9,12-18H2,1H3