3-phenylpropyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-(2-bromo-4-chloro-phenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(2-bromo-4-chlorophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-chloro-phenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C24H26BrClN2O5 MolecularWeight: 537.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C24H26BrClN2O5/c1-16(33-21-10-9-18(26)14-19(21)25)24(31)28-12-11-27-23(30)20(28)15-22(29)32-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,16,20H,5,8,11-13,15H2,1H3,(H,27,30)