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

Systemtic Name: phenethyl 2-[1-[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C24H27BrN2O6 MolecularWeight: 519.38498

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H27BrN2O6/c1-31-13-14-32-21-8-7-18(15-19(21)25)24(30)27-11-10-26-23(29)20(27)16-22(28)33-12-9-17-5-3-2-4-6-17/h2-8,15,20H,9-14,16H2,1H3,(H,26,29)