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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

InChI

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