3-phenylpropyl 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(5-bromo-2-isopentyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[5-bromo-2-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-isoamoxy-benzoyl)-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)CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H33BrN2O5/c1-19(2)12-16-34-24-11-10-21(28)17-22(24)27(33)30-14-13-29-26(32)23(30)18-25(31)35-15-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,19,23H,6,9,12-16,18H2,1-2H3,(H,29,32)