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

Systemtic Name: phenethyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C26H29BrN2O6 MolecularWeight: 545.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C26H29BrN2O6/c27-21-15-19(8-9-23(21)35-17-20-7-4-13-33-20)26(32)29-12-11-28-25(31)22(29)16-24(30)34-14-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2,(H,28,31)