cyclohexyl 2-[1-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[2-(2-bromo-4-phenylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C26H29BrN2O5 MolecularWeight: 529.42286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C26H29BrN2O5/c27-21-15-19(18-7-3-1-4-8-18)11-12-23(21)33-17-24(30)29-14-13-28-26(32)22(29)16-25(31)34-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,15,20,22H,2,5-6,9-10,13-14,16-17H2,(H,28,32)