3-phenylpropyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(4-allyloxy-3-bromo-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-prop-2-enoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(3-bromo-4-prop-2-enoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-allyloxy-3-bromo-benzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C25H27BrN2O5 MolecularWeight: 515.39628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H27BrN2O5/c1-2-14-32-22-11-10-19(16-20(22)26)25(31)28-13-12-27-24(30)21(28)17-23(29)33-15-6-9-18-7-4-3-5-8-18/h2-5,7-8,10-11,16,21H,1,6,9,12-15,17H2,(H,27,30)