3-methylbutyl 2-[1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C21H29ClN2O5 MolecularWeight: 424.91836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C21H29ClN2O5/c1-13(2)5-8-28-19(26)11-17-21(27)23-6-7-24(17)18(25)12-29-16-9-14(3)20(22)15(4)10-16/h9-10,13,17H,5-8,11-12H2,1-4H3,(H,23,27)