decyl 2-[1-(5-bromanyl-2-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-(5-bromanyl-2-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-(5-bromo-2-butoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(5-bromo-2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-butoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C27H41BrN2O5 MolecularWeight: 553.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41BrN2O5/c1-3-5-7-8-9-10-11-12-18-35-25(31)20-23-26(32)29-15-16-30(23)27(33)22-19-21(28)13-14-24(22)34-17-6-4-2/h13-14,19,23H,3-12,15-18,20H2,1-2H3,(H,29,32)