2-methylpropanoyloxymethyl 4-[4-[4-(1-acetyloxy-3-methyl-1-oxidanylidene-butan-2-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate hydrochloride

Systemtic Name: 2-methylpropanoyloxymethyl 4-[4-[4-(1-acetyloxy-3-methyl-1-oxidanylidene-butan-2-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate hydrochloride Openeye Name: 2-methylpropanoyloxymethyl 4-[4-[4-(1-acetoxycarbonyl-2-methyl-propoxy)phenyl]-3-oxo-piperazin-1-yl]piperidine-1-carboxylate hydrochloride CAS Name: 4-[4-[4-(1-acetyloxy-3-methyl-1-oxobutan-2-yl)oxyphenyl]-3-oxo-1-piperazinyl]-1-piperidinecarboxylic acid (2-methyl-1-oxopropoxy)methyl ester hydrochloride IUPAC Name: 2-methylpropanoyloxymethyl 4-[4-[4-(1-acetyloxy-3-methyl-1-oxobutan-2-yl)oxyphenyl]-3-oxopiperazin-1-yl]piperidine-1-carboxylate hydrochloride Traditional Name: 4-[4-[4-(1-acetoxycarbonyl-2-methyl-propoxy)phenyl]-3-keto-piperazino]piperidine-1-carboxylic acid isobutyryloxymethyl ester hydrochloride Formula: C28H40ClN3O9 MolecularWeight: 598.0849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O9.ClH/c1-18(2)25(27(35)39-20(5)32)40-23-8-6-22(7-9-23)31-15-14-30(16-24(31)33)21-10-12-29(13-11-21)28(36)38-17-37-26(34)19(3)4;/h6-9,18-19,21,25H,10-17H2,1-5H3;1H