3-methylbutyl 2-[1-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O5/c1-13(2)6-9-27-19(25)11-16-20(26)22-7-8-23(16)18(24)12-28-17-5-4-15(21)10-14(17)3/h4-5,10,13,16H,6-9,11-12H2,1-3H3,(H,22,26)