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

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-bromo-4-phenylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C25H29BrN2O5/c1-17(2)10-13-32-24(30)15-21-25(31)27-11-12-28(21)23(29)16-33-22-9-8-19(14-20(22)26)18-6-4-3-5-7-18/h3-9,14,17,21H,10-13,15-16H2,1-2H3,(H,27,31)