2-methoxyethyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[3-bromo-4-(tetrahydrofuran-2-ylmethoxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-oxolanylmethoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-bromo-4-(tetrahydrofurfuryloxy)benzoyl]-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C21H27BrN2O7 MolecularWeight: 499.35228

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC3CCCO3)Br

InChI

InChI=1S/C21H27BrN2O7/c1-28-9-10-30-19(25)12-17-20(26)23-6-7-24(17)21(27)14-4-5-18(16(22)11-14)31-13-15-3-2-8-29-15/h4-5,11,15,17H,2-3,6-10,12-13H2,1H3,(H,23,26)