3-methylbutyl 2-[1-[2-(3-methylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(3-methylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(3-methylphenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(3-methylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(3-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(3-methylphenoxy)acetyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-14(2)7-10-26-19(24)12-17-20(25)21-8-9-22(17)18(23)13-27-16-6-4-5-15(3)11-16/h4-6,11,14,17H,7-10,12-13H2,1-3H3,(H,21,25)