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

Systemtic Name: cyclohexyl 2-[1-(3-bromanyl-4-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-(3-bromo-4-butoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(3-bromo-4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-butoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C23H31BrN2O5 MolecularWeight: 495.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)Br

InChI

InChI=1S/C23H31BrN2O5/c1-2-3-13-30-20-10-9-16(14-18(20)24)23(29)26-12-11-25-22(28)19(26)15-21(27)31-17-7-5-4-6-8-17/h9-10,14,17,19H,2-8,11-13,15H2,1H3,(H,25,28)