decyl 2-[1-(3-bromanyl-4-propan-2-yloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-(3-bromanyl-4-propan-2-yloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-(3-bromo-4-isopropoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-propan-2-yloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(3-bromo-4-propan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isopropoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C26H39BrN2O5 MolecularWeight: 539.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OC(C)C)Br

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OC(C)C)Br

InChI

InChI=1S/C26H39BrN2O5/c1-4-5-6-7-8-9-10-11-16-33-24(30)18-22-25(31)28-14-15-29(22)26(32)20-12-13-23(21(27)17-20)34-19(2)3/h12-13,17,19,22H,4-11,14-16,18H2,1-3H3,(H,28,31)