2,2-dimethylpropanoyloxymethyl 4-[4-[4-(1-acetyloxy-1-oxidanylidene-butan-2-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-[4-[4-(1-acetyloxy-1-oxidanylidene-butan-2-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-[4-[4-(1-acetoxycarbonylpropoxy)phenyl]-3-oxo-piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[4-(1-acetyloxy-1-oxobutan-2-yl)oxyphenyl]-3-oxo-1-piperazinyl]-1-piperidinecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-[4-[4-(1-acetyloxy-1-oxobutan-2-yl)oxyphenyl]-3-oxopiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(1-acetoxycarbonylpropoxy)phenyl]-3-keto-piperazino]piperidine-1-carboxylic acid pivaloyloxymethyl ester Formula: C28H39N3O9 MolecularWeight: 561.62396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(=O)C)OC1=CC=C(C=C1)N2CCN(CC2=O)C3CCN(CC3)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CCC(C(=O)OC(=O)C)OC1=CC=C(C=C1)N2CCN(CC2=O)C3CCN(CC3)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C28H39N3O9/c1-6-23(25(34)39-19(2)32)40-22-9-7-21(8-10-22)31-16-15-30(17-24(31)33)20-11-13-29(14-12-20)27(36)38-18-37-26(35)28(3,4)5/h7-10,20,23H,6,11-18H2,1-5H3