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

Systemtic Name: (phenylmethyl) 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C25H27BrN2O6/c26-20-13-18(8-9-22(20)33-16-19-7-4-12-32-19)25(31)28-11-10-27-24(30)21(28)14-23(29)34-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,19,21H,4,7,10-12,14-16H2,(H,27,30)