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

Systemtic Name: 3-methylbutyl 2-[1-[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C23H33BrN2O5 MolecularWeight: 497.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)Br

InChI

InChI=1S/C23H33BrN2O5/c1-15(2)7-11-30-20-6-5-17(13-18(20)24)23(29)26-10-9-25-22(28)19(26)14-21(27)31-12-8-16(3)4/h5-6,13,15-16,19H,7-12,14H2,1-4H3,(H,25,28)