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

Systemtic Name: 2-methylpropanoyloxymethyl 4-[4-[4-(1-acetyloxy-1-oxidanylidene-butan-2-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate hydrochloride Openeye Name: 2-methylpropanoyloxymethyl 4-[4-[4-(1-acetoxycarbonylpropoxy)phenyl]-3-oxo-piperazin-1-yl]piperidine-1-carboxylate hydrochloride CAS Name: 4-[4-[4-(1-acetyloxy-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-1-oxobutan-2-yl)oxyphenyl]-3-oxopiperazin-1-yl]piperidine-1-carboxylate hydrochloride Traditional Name: 4-[4-[4-(1-acetoxycarbonylpropoxy)phenyl]-3-keto-piperazino]piperidine-1-carboxylic acid isobutyryloxymethyl ester hydrochloride Formula: C27H38ClN3O9 MolecularWeight: 584.05832

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.Cl

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.Cl

InChI

InChI=1S/C27H37N3O9.ClH/c1-5-23(26(34)38-19(4)31)39-22-8-6-21(7-9-22)30-15-14-29(16-24(30)32)20-10-12-28(13-11-20)27(35)37-17-36-25(33)18(2)3;/h6-9,18,20,23H,5,10-17H2,1-4H3;1H