[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O4/c22-17-6-4-5-16(13-17)21(28)23-14-20(27)29-15-19(26)25-11-9-24(10-12-25)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,23,28)