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

Systemtic Name: 3-phenylpropyl 2-[1-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C29H29BrN2O5 MolecularWeight: 565.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C29H29BrN2O5/c30-24-18-23(22-11-5-2-6-12-22)13-14-26(24)37-20-27(33)32-16-15-31-29(35)25(32)19-28(34)36-17-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-14,18,25H,7,10,15-17,19-20H2,(H,31,35)