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

Systemtic Name: 2-methylpropyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC=C)Br

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC=C)Br

InChI

InChI=1S/C20H25BrN2O5/c1-4-9-27-17-6-5-14(10-15(17)21)20(26)23-8-7-22-19(25)16(23)11-18(24)28-12-13(2)3/h4-6,10,13,16H,1,7-9,11-12H2,2-3H3,(H,22,25)