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

Systemtic Name: 3-phenylpropyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C27H33BrN2O5 MolecularWeight: 545.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H33BrN2O5/c1-3-19(2)21-11-12-24(22(28)16-21)35-18-25(31)30-14-13-29-27(33)23(30)17-26(32)34-15-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-12,16,19,23H,3,7,10,13-15,17-18H2,1-2H3,(H,29,33)