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

Systemtic Name: phenethyl 2-[1-(3-bromanyl-4-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H29BrN2O5/c1-2-3-14-32-22-10-9-19(16-20(22)26)25(31)28-13-12-27-24(30)21(28)17-23(29)33-15-11-18-7-5-4-6-8-18/h4-10,16,21H,2-3,11-15,17H2,1H3,(H,27,30)