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

Systemtic Name: 3-methylbutyl 2-[1-(3-bromanyl-4-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-bromo-4-phenethyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-bromo-4-phenethyloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-phenethyloxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C26H31BrN2O5 MolecularWeight: 531.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H31BrN2O5/c1-18(2)10-14-34-24(30)17-22-25(31)28-12-13-29(22)26(32)20-8-9-23(21(27)16-20)33-15-11-19-6-4-3-5-7-19/h3-9,16,18,22H,10-15,17H2,1-2H3,(H,28,31)