1-chloroethyl 4-[2-acetyloxy-2-oxidanylidene-1-(2-oxidanylidenepiperazin-1-yl)-1-phenoxy-ethyl]piperidine-1-carboxylate

Systemtic Name: 1-chloroethyl 4-[2-acetyloxy-2-oxidanylidene-1-(2-oxidanylidenepiperazin-1-yl)-1-phenoxy-ethyl]piperidine-1-carboxylate Openeye Name: 1-chloroethyl 4-[2-acetoxy-2-oxo-1-(2-oxopiperazin-1-yl)-1-phenoxy-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-acetyloxy-2-oxo-1-(2-oxo-1-piperazinyl)-1-phenoxyethyl]-1-piperidinecarboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl 4-[2-acetyloxy-2-oxo-1-(2-oxopiperazin-1-yl)-1-phenoxyethyl]piperidine-1-carboxylate Traditional Name: 4-[2-acetoxy-2-keto-1-(2-ketopiperazino)-1-phenoxy-ethyl]piperidine-1-carboxylic acid 1-chloroethyl ester Formula: C22H28ClN3O7 MolecularWeight: 481.92662

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1CCC(CC1)C(C(=O)OC(=O)C)(N2CCNCC2=O)OC3=CC=CC=C3)Cl

Isomeric SMILES

CC(OC(=O)N1CCC(CC1)C(C(=O)OC(=O)C)(N2CCNCC2=O)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O7/c1-15(23)31-21(30)25-11-8-17(9-12-25)22(20(29)32-16(2)27,26-13-10-24-14-19(26)28)33-18-6-4-3-5-7-18/h3-7,15,17,24H,8-14H2,1-2H3