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

Systemtic Name: 3-phenylpropyl 2-[1-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-tert-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:

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

Isomeric SMILES

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

InChI

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