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

Systemtic Name: methyl 5-[[4-[2-(4-phenylmethoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(4-benzyloxyphenyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(4-phenylmethoxyphenyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(4-benzoxyphenyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5/c1-32-27(31)25-13-12-24(34-25)19-28-14-5-15-29(17-16-28)26(30)18-21-8-10-23(11-9-21)33-20-22-6-3-2-4-7-22/h2-4,6-13H,5,14-20H2,1H3