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

Systemtic Name: 2-phenoxyethyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C26H29BrN2O7 MolecularWeight: 561.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCCOC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCCOC4=CC=CC=C4)Br

InChI

InChI=1S/C26H29BrN2O7/c27-21-15-18(8-9-23(21)36-17-20-7-4-12-33-20)26(32)29-11-10-28-25(31)22(29)16-24(30)35-14-13-34-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2,(H,28,31)