[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H25NO5/c1-15(24)17-7-9-18(10-8-17)19-11-12-20(28-19)22(26)27-16(2)21(25)23-13-5-3-4-6-14-23/h7-12,16H,3-6,13-14H2,1-2H3