2-methylpropanoyloxymethyl 4-[4-[4-(2-acetyloxy-1-cyclohexyl-2-oxidanylidene-ethoxy)phenyl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: 2-methylpropanoyloxymethyl 4-[4-[4-(2-acetyloxy-1-cyclohexyl-2-oxidanylidene-ethoxy)phenyl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate Openeye Name: 2-methylpropanoyloxymethyl 4-[4-[4-(2-acetoxy-1-cyclohexyl-2-oxo-ethoxy)phenyl]-3-oxo-piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[4-(2-acetyloxy-1-cyclohexyl-2-oxoethoxy)phenyl]-3-oxo-1-piperazinyl]-1-piperidinecarboxylic acid (2-methyl-1-oxopropoxy)methyl ester IUPAC Name: 2-methylpropanoyloxymethyl 4-[4-[4-(2-acetyloxy-1-cyclohexyl-2-oxoethoxy)phenyl]-3-oxopiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(2-acetoxy-1-cyclohexyl-2-keto-ethoxy)phenyl]-3-keto-piperazino]piperidine-1-carboxylic acid isobutyryloxymethyl ester Formula: C31H43N3O9 MolecularWeight: 601.68782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCOC(=O)N1CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)OC(C4CCCCC4)C(=O)OC(=O)C

Isomeric SMILES

CC(C)C(=O)OCOC(=O)N1CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)OC(C4CCCCC4)C(=O)OC(=O)C

InChI

InChI=1S/C31H43N3O9/c1-21(2)29(37)40-20-41-31(39)32-15-13-24(14-16-32)33-17-18-34(27(36)19-33)25-9-11-26(12-10-25)43-28(30(38)42-22(3)35)23-7-5-4-6-8-23/h9-12,21,23-24,28H,4-8,13-20H2,1-3H3