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

Systemtic Name: phenethyl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(3-bromo-4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C27H33BrN2O5 MolecularWeight: 545.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H33BrN2O5/c1-2-3-4-8-16-34-24-12-11-21(18-22(24)28)27(33)30-15-14-29-26(32)23(30)19-25(31)35-17-13-20-9-6-5-7-10-20/h5-7,9-12,18,23H,2-4,8,13-17,19H2,1H3,(H,29,32)