3-phenylpropyl 4-[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-(2-decoxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-(2-decoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[2-(2-decoxy-2-keto-ethyl)-3-keto-piperazino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C29H44N2O6 MolecularWeight: 516.66946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C29H44N2O6/c1-2-3-4-5-6-7-8-12-21-37-28(34)23-25-29(35)30-19-20-31(25)26(32)17-18-27(33)36-22-13-16-24-14-10-9-11-15-24/h9-11,14-15,25H,2-8,12-13,16-23H2,1H3,(H,30,35)