propyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C20H27BrN2O5/c1-5-8-27-17(24)11-16-19(25)22-6-7-23(16)20(26)14(4)28-18-12(2)9-15(21)10-13(18)3/h9-10,14,16H,5-8,11H2,1-4H3,(H,22,25)