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

Systemtic Name: cyclohexyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C24H31BrN2O6 MolecularWeight: 523.41674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=O)C3=CC(=C(C=C3)OCC4CCCO4)Br

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=O)C3=CC(=C(C=C3)OCC4CCCO4)Br

InChI

InChI=1S/C24H31BrN2O6/c25-19-13-16(8-9-21(19)32-15-18-7-4-12-31-18)24(30)27-11-10-26-23(29)20(27)14-22(28)33-17-5-2-1-3-6-17/h8-9,13,17-18,20H,1-7,10-12,14-15H2,(H,26,29)