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

Systemtic Name: 3-phenylpropyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C26H31BrN2O5 MolecularWeight: 531.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H31BrN2O5/c1-18(2)17-34-23-11-10-20(15-21(23)27)26(32)29-13-12-28-25(31)22(29)16-24(30)33-14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,18,22H,6,9,12-14,16-17H2,1-2H3,(H,28,31)