methyl 3-[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[2-(2-decoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbonyl]benzoate CAS Name: 3-[[2-(2-decoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]benzoate Traditional Name: 3-[2-(2-decoxy-2-keto-ethyl)-3-keto-piperazine-1-carbonyl]benzoic acid methyl ester Formula: C25H36N2O6 MolecularWeight: 460.56314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C25H36N2O6/c1-3-4-5-6-7-8-9-10-16-33-22(28)18-21-23(29)26-14-15-27(21)24(30)19-12-11-13-20(17-19)25(31)32-2/h11-13,17,21H,3-10,14-16,18H2,1-2H3,(H,26,29)