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

Systemtic Name: phenethyl 2-[1-(5-bromanyl-2-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(5-bromo-2-methoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(5-bromo-2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-methoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN2O5/c1-29-19-8-7-16(23)13-17(19)22(28)25-11-10-24-21(27)18(25)14-20(26)30-12-9-15-5-3-2-4-6-15/h2-8,13,18H,9-12,14H2,1H3,(H,24,27)