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

Systemtic Name: (phenylmethyl) 2-[1-(3-bromanyl-4-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(3-bromo-4-butoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(3-bromo-4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-butoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C24H27BrN2O5 MolecularWeight: 503.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H27BrN2O5/c1-2-3-13-31-21-10-9-18(14-19(21)25)24(30)27-12-11-26-23(29)20(27)15-22(28)32-16-17-7-5-4-6-8-17/h4-10,14,20H,2-3,11-13,15-16H2,1H3,(H,26,29)