3-methylbutyl 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2,5-dimethylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C22H32N2O5/c1-14(2)8-11-28-20(25)13-18-21(26)23-9-10-24(18)22(27)17(5)29-19-12-15(3)6-7-16(19)4/h6-7,12,14,17-18H,8-11,13H2,1-5H3,(H,23,26)