[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(4-acetyloxy-3-chloranyl-phenyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(4-acetyloxy-3-chloranyl-phenyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(4-acetoxy-3-chloro-phenyl)benzoate CAS Name: 4-(4-acetyloxy-3-chlorophenyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(4-acetyloxy-3-chlorophenyl)benzoate Traditional Name: 4-(4-acetoxy-3-chloro-phenyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H24ClNO5 MolecularWeight: 429.89336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C23H24ClNO5/c1-16(26)30-21-11-10-19(14-20(21)24)17-6-8-18(9-7-17)23(28)29-15-22(27)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3