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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate CAS Name: 5-(2-chlorophenyl)-2-furancarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate Traditional Name: 5-(2-chlorophenyl)furan-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClNO4/c1-14(19(23)22-12-6-2-3-7-13-22)25-20(24)18-11-10-17(26-18)15-8-4-5-9-16(15)21/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3