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

Systemtic Name: 3-phenylpropyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C27H31BrN2O6 MolecularWeight: 559.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3CC(=O)OCCCC4=CC=CC=C4)Br

InChI

InChI=1S/C27H31BrN2O6/c28-22-16-20(10-11-24(22)36-18-21-9-5-14-34-21)27(33)30-13-12-29-26(32)23(30)17-25(31)35-15-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-11,16,21,23H,4-5,8-9,12-15,17-18H2,(H,29,32)